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 | |
|---|---|---|---|---|
| SCHEMBL114713 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL16830717 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28956451 | 0.86 | — | — | |
| SCHEMBL9576875 | 0.75 | — | — | |
| Ether SCHEMBL1077135 | 0.70 | ALDH1A1 (0.32) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27701338 | 0.64 | — | — | |
| Lithium Ion SCHEMBL4444232 | 0.61 | — | — | |
| Tert-Butylamine SCHEMBL29112055 | 0.57 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28111334 | 0.57 | — | — | |
| Lithium Ion SCHEMBL11109245 | 0.54 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3560934-A1 | PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 | F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) | 2019-10-30 | — | — | EP | claimed |
| EP-2797931-B1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | ITALIANA SINT SPA (IT) | 2016-09-28 | — | — | EP | claimed |
| US-9000205-B2 | Process for the preparation of 2-cyanophenylboronic acid and esters thereof | F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) | 2015-04-07 | — | — | US | claimed |
| US-20140357886-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2014-12-04 | — | — | US | claimed |
| EP-2797931-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) | 2014-11-05 | — | — | EP | claimed |
| WO-2014023576-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2014-02-13 | — | — | WO | claimed |
| CN-111170878-B | Method for preparing D-type or L-type tert-leucine | 滨海瀚鸿生化有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-109422790-B | Novel preparation process of sofosbuvir | 常州制药厂有限公司 | 2022-02-22 | — | — | CN | disclosed |
| CN-111170878-A | Method for preparing D-type or L-type tert-leucine | 滨海瀚鸿生化有限公司 | 2020-05-19 | — | — | CN | disclosed |
| EP-3560934-A1 | PROCESS FOR THE PREPARATION OF PURE 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF, INTERMEDIATES OF PERAMPANEL OR OF E2040 | F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) | 2019-10-30 | — | — | EP | disclosed |
| EP-2797931-B1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | ITALIANA SINT SPA (IT) | 2016-09-28 | — | — | EP | disclosed |
| US-9000205-B2 | Process for the preparation of 2-cyanophenylboronic acid and esters thereof | F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) | 2015-04-07 | — | — | US | disclosed |
| US-20140357886-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2014-12-04 | — | — | US | disclosed |
| EP-2797931-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) | 2014-11-05 | — | — | EP | disclosed |
| WO-2014023576-A1 | PROCESS FOR THE PREPARATION OF 2-CYANOPHENYLBORONIC ACID AND ESTERS THEREOF | F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) | 2014-02-13 | — | — | WO | disclosed |
| EP-2061825-B1 | UNIVERSAL GRIGNARD METATHESIS POLYMERIZATION | UNIV CARNEGIE MELLON (US) | 2013-05-22 | — | — | EP | disclosed |
| US-8288508-B2 | Metal-halogen exchange between an unsaturated ring compound having at least two halogen groups,and an organomagnesium component and a metal activation agent; oligomerization or polymerization to produce polythiophenes, polypyrroles, polyphenylenes, polycarbazole, polyfluorene | CARNEGIE MELLON UNIVERSITY (US) | 2012-10-16 | — | — | US | disclosed |
| EP-2061825-A1 | UNIVERSAL GRIGNARD METATHESIS POLYMERIZATION | CARNEGIE MELLON UNIVERSITY (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080146754-A1 | UNIVERSAL GIRNARD METATHESIS POLYMERIZATION | CARNEGIE MELLON UNIVERSITY | 2008-06-19 | — | — | US | disclosed |
| WO-2008028166-A1 | UNIVERSAL GRIGNARD METATHESIS POLYMERIZATION | CARNEGIE MELLON UNIVERSITY (US) | 2008-03-06 | — | — | WO | disclosed |