⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30521171 | 0.85 | CHRM2 (0.36) | — | |
| SCHEMBL25211808 | 0.82 | DPP4 (0.30) | — | |
| SCHEMBL25415541 | 0.82 | DPP4 (0.30) | — | |
| SCHEMBL25416974 | 0.81 | — | — | |
| SCHEMBL30520607 | 0.81 | — | — | |
| SCHEMBL25413586 | 0.81 | — | — | |
| SCHEMBL30392136 | 0.80 | DPP4 (0.33) | — | |
| SCHEMBL30392573 | 0.78 | — | — | |
| SCHEMBL29937133 | 0.78 | — | — | |
| SCHEMBL30089267 | 0.74 | CHRM2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023173014-A1 | KRAS INHIBITORS AND THEIR USE | BLOSSOMHILL THERAPEUTICS, INC. (US) | 2023-09-14 | — | — | WO | disclosed |