⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25014919 | 0.78 | AKR1C3 (0.36) | — | |
| SCHEMBL29466613 | 0.69 | ACHE (0.45) | — | |
| SCHEMBL22692106 | 0.69 | — | — | |
| SCHEMBL24373469 | 0.69 | HRH3 (0.46) | — | |
| SCHEMBL22692095 | 0.69 | ACHE (0.45) | — | |
| SCHEMBL23976185 | 0.66 | CYP19A1 (0.30) | — | |
| SCHEMBL512889 | 0.63 | HRH4 (0.43) | — | |
| SCHEMBL8078173 | 0.63 | KMT2A (0.34) | — | |
| SCHEMBL514140 | 0.61 | HRH3 (0.36) | — | |
| SCHEMBL22411313 | 0.57 | KMT2A (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220227738-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2022-07-21 | — | — | US | disclosed |
| WO-2022115439-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-06-02 | — | — | WO | disclosed |
| EP-3972978-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-03-30 | — | — | EP | disclosed |
| CN-114096544-A | KRAS G12C inhibitors and uses thereof | 加州理工学院 | 2022-02-25 | — | — | CN | disclosed |
| WO-2020236940-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-26 | — | — | WO | disclosed |