Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8325583 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17332091 | 1.00 | — | — | |
| SCHEMBL29474773 | 0.94 | — | — | |
| SCHEMBL29474775 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4002029 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL21351719 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL200261 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL22041939 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL21300485 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3163696 | 0.88 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 368 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3655379-B1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INST OF TECHN (US) | 2023-04-05 | — | — | EP | claimed |
| EP-3655379-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | California Institute of Technology (US) | 2020-05-27 | — | — | EP | claimed |
| EP-3621940-A1 | COMPOSITIONS AND METHODS FOR PREPARING , -UNSATURATED ACIDS | California Institute of Technology (US) | 2020-03-18 | — | — | EP | claimed |
| US-10336678-B2 | Compositions and methods for preparing β,γ-unsaturated acids | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-02 | — | — | US | claimed |
| US-20190048009-A1 | Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2019-02-14 | — | — | US | claimed |
| WO-2019018539-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-01-24 | — | — | WO | claimed |
| US-20180327343-A1 | COMPOSITIONS AND METHODS FOR PREPARING BETA,GAMMA-UNSATURATED ACIDS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2018-11-15 | — | — | US | claimed |
| WO-2018209243-A1 | COMPOSITIONS AND METHODS FOR PREPARING β,γ-UNSATURATED ACIDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-11-15 | — | — | WO | claimed |
| EP-2443129-B1 | PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION | LEK PHARMACEUTICALS (SI) | 2016-11-23 | — | — | EP | claimed |
| US-9315525-B2 | Synthetic route for the preparation of α-amino boronic acid derivatives via substituted alk-1-ynes | LEK PHARMACEUTICALS D.D. (SI) | 2016-04-19 | — | — | US | claimed |
| US-8785674-B2 | Process for hydrogenation of halogenoalkenes without dehalogenation | LEK PHARMACEUTICALS D.D. (SL) | 2014-07-22 | — | — | US | claimed |
| EP-2694532-A1 | AUREOBASIDIUM DERIVATIVES AND METHODS OF SYNTHESIS | Aureogen Biosciences, Inc. (US) | 2014-02-12 | — | — | EP | claimed |
| WO-2012134989-A1 | AUREOBASIDIUM DERIVATIVES AND METHODS OF SYNTHESIS | AUREOGEN BIOSCIENCES, INC. (US) | 2012-10-04 | — | — | WO | claimed |
| US-20120231993-A1 | NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ALPHA-AMINO BORONIC ACID DERIVATIVES via SUBSTITUTED ALK-1-YNES | LEK PHARMACEUTICALS D.D. (SI) | 2012-09-13 | — | — | US | claimed |
| US-20120220794-A1 | PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION | LEK PHARMACEUTICALS D.D. (SI) | 2012-08-30 | — | — | US | claimed |
| US-8173830-B2 | For example, reacting acetyene and benzoic acid or neodecanoic acid to make vinyl benzoate or vinyl neodecanoate respectively on industrial scale using a iridium, palladium, platinum, or rhodium complex catalyst with use of certain ligands and additives | CELANESE INTERNATIONAL CORPORATION (US) | 2012-05-08 | — | — | US | claimed |
| WO-2010146176-A2 | PROCESS FOR HYDROGENATION OF HALOGENOALKENES WITHOUT DEHALOGENATION | LEK PHARMACEUTICALS D.D. (SI) | 2010-12-23 | — | — | WO | claimed |
| WO-2010146172-A2 | NEW SYNTHETIC ROUTE FOR THE PREPARATION OF α-AMINO BORONIC ACID DERIVATIVES VIA SUBSTITUTED ALK-1-YNES | LEK PHARMACEUTICALS D.D. (SI) | 2010-12-23 | — | — | WO | claimed |
| EP-1639030-B1 | SILICON COMPOSITION WHICH CAN BE CROSSLINKED BY MEANS OF DEHYDROGENATIVE CONDENSATION IN THE PRESENCE OF A METAL CATALYST | BLUESTAR SILICONES FRANCE (FR) | 2008-12-03 | — | — | EP | claimed |
| US-20070027286-A1 | Silicone composition which can be crosslinked by means of dehydrogenative condensation in the presence of a metal catalyst | RHODIA CHIMIE (FR) | 2007-02-01 | — | — | US | claimed |