⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210462 | 0.87 | — | — | |
| SCHEMBL3393161 | 0.76 | — | — | |
| SCHEMBL6238330 | 0.76 | — | — | |
| SCHEMBL13738013 | 0.74 | — | — | |
| SCHEMBL6239344 | 0.71 | — | — | |
| SCHEMBL12295816 | 0.70 | ANPEP (0.30) | — | |
| SCHEMBL456813 | 0.63 | — | — | |
| SCHEMBL7067157 | 0.63 | ANPEP (0.31) | — | |
| SCHEMBL22025062 | 0.59 | TSHR (0.35) | — | |
| SCHEMBL22025657 | 0.59 | TSHR (0.35) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020052522-A1 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION | 2002-05-02 | — | — | US | claimed |
| US-6346639-B1 | Boronic compounds | THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 2002-02-12 | — | — | US | claimed |
| EP-4329750-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022232320-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-11-03 | — | — | WO | disclosed |
| EP-1981854-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |
| EP-1121365-B1 | ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS | COMMW SCIENT IND RES ORG (AU) | 2005-06-08 | — | — | EP | disclosed |
| US-6713566-B1 | CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2004-03-30 | — | — | US | disclosed |
| WO-2003040092-A2 | &dollar;g(D)1-PYRROLINES | BAYER AKTIENGESELLSCHAFT (DE) | 2003-05-15 | — | — | WO | disclosed |
| US-6515160-B2 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2003-02-04 | — | — | US | disclosed |
| EP-1056751-A4 | BORONIC COMPOUNDS | COMMW SCIENT IND RES ORG (AU) | 2003-01-22 | — | — | EP | disclosed |
| US-20020052522-A1 | Boronic compounds | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION | 2002-05-02 | — | — | US | disclosed |
| US-6346639-B1 | Boronic compounds | THE COMMONWEALTH OF AUSTRALIA COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 2002-02-12 | — | — | US | disclosed |
| EP-1056751-A1 | BORONIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999033845-A1 | BORONIC COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 1999-07-08 | — | — | WO | disclosed |