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 | |
|---|---|---|---|---|
| SCHEMBL1688001 | 0.96 | — | — | |
| SCHEMBL902747 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL252512 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4556942 | 0.62 | — | — | |
| SCHEMBL2879089 | 0.61 | — | — | |
| SCHEMBL4790574 | 0.61 | — | — | |
| SCHEMBL1533512 | 0.61 | — | — | |
| SCHEMBL8903116 | 0.61 | — | — | |
| SCHEMBL1460960 | 0.61 | — | — | |
| SCHEMBL1416300 | 0.61 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0015757-B1 | PROCESS FOR THE PREPARATION OF CHLORODEOXYSUGARS | TATE & LYLE PATENT HOLDINGS LIMITED (BM) | 1982-06-30 | — | — | EP | claimed |
| US-7718821-B1 | Method of preparing electron deficient olefins | LOCTITE (R&D) LIMITED (IL) | 2010-05-18 | — | — | US | disclosed |
| US-5034307-A | Photopolymerization of ethylenically unsaturated substrates | CIBA-GEIGY CORPORATION (US) | 1991-07-23 | — | — | US | disclosed |
| US-4970136-A | PHOTOINITIATORS | CIBA-GEIGY CORPORATION (US) | 1990-11-13 | — | — | US | disclosed |
| US-4962012-A | HEAT-RESISTANT, PHOTOSTABLE AND STORAGE-STABLE PHOTOINITIATORS; LOW POWER LASER IMAGING | CIBA-GEIGY CORPORATION (US) | 1990-10-09 | — | — | US | disclosed |
| US-4910121-A | Containing ethylenically unsaturated monomer ant titanocene photoinitiator | CIBA-GEIGY CORPORATION (US) | 1990-03-20 | — | — | US | disclosed |
| US-4857654-A | Titanocenes and their use | CIBA-GEIGY CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |
| US-4590287-A | PHOTOINITIATORS | CIBA-GEIGY CORPORATION (US) | 1986-05-20 | — | — | US | disclosed |
| EP-0015757-B1 | PROCESS FOR THE PREPARATION OF CHLORODEOXYSUGARS | TATE & LYLE PATENT HOLDINGS LIMITED (BM) | 1982-06-30 | — | — | EP | disclosed |
| US-4324888-A | REACTION OF REDUCING SUGAR WITH N,N-DIALKYL(METHANIMIUM) CHLORIDE | TALRES DEVELOPMENT (N.A.) N.V. (AN) | 1982-04-13 | — | — | US | disclosed |
| EP-0015757-A1 | Process for the preparation of chlorodeoxysugars | TATE & LYLE PATENT HOLDINGS LIMITED (BM) | 1980-09-17 | — | — | EP | disclosed |
| US-3957761-A | Process for the production of 1-aminomethyl-6-phenyl-4h-s-triazolo-[4,3-a][1]benzodiazepines and intermediates | THE UPJOHN COMPANY (US) | 1976-05-18 | — | — | US | disclosed |
| US-3957761-A | Process for the production of 1-aminomethyl-6-phenyl-4h-s-triazolo-[4,3-a][1]benzodiazepines and intermediates | THE UPJOHN COMPANY (US) | 1976-05-18 | — | — | US | disclosed |