⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28045319 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL29017477 | 0.65 | LMNA (0.31) | — | |
| SCHEMBL29280572 | 0.63 | — | — | |
| SCHEMBL20234664 | 0.61 | NOS3 (0.33) | — | |
| SCHEMBL25704858 | 0.61 | CRBN (0.33) | — | |
| SCHEMBL1713338 | 0.60 | MAPT (0.34) | — | |
| SCHEMBL8056826 | 0.60 | MAPT (0.34) | — | |
| SCHEMBL8053058 | 0.60 | MAPT (0.34) | — | |
| SCHEMBL19656866 | 0.58 | CYP19A1 (0.30) | — | |
| SCHEMBL25697210 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113767103-B | Novel spirocyclic K-Ras G12C inhibitors | 微境生物医药科技(上海)有限公司 | 2024-03-29 | — | — | CN | disclosed |