⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6068139 | 0.87 | — | — | |
| SCHEMBL16769959 | 0.82 | — | — | |
| SCHEMBL7068167 | 0.76 | — | — | |
| SCHEMBL7067157 | 0.69 | ANPEP (0.31) | — | |
| SCHEMBL758158 | 0.69 | — | — | |
| SCHEMBL3961837 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL14028853 | 0.66 | — | — | |
| SCHEMBL18400901 | 0.64 | — | — | |
| SCHEMBL23098950 | 0.62 | — | — | |
| SCHEMBL6240283 | 0.61 | ALDH1A1 (0.36) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1971582-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | Brystol-Myers Squibb Company (US) | 2008-09-24 | — | — | EP | disclosed |
| WO-2007076431-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |
| WO-2003040092-A2 | &dollar;g(D)1-PYRROLINES | BAYER AKTIENGESELLSCHAFT (DE) | 2003-05-15 | — | — | WO | disclosed |
| EP-1056751-A4 | BORONIC COMPOUNDS | COMMW SCIENT IND RES ORG (AU) | 2003-01-22 | — | — | EP | 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 |