⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21733072 | 0.84 | — | — | |
| SCHEMBL24327757 | 0.81 | CYP2D6 (0.31) | — | |
| SCHEMBL14818605 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20613739 | 0.79 | — | — | |
| SCHEMBL27277294 | 0.78 | — | — | |
| SCHEMBL24861048 | 0.78 | — | — | |
| SCHEMBL14818604 | 0.75 | CYP2D6 (0.38) | — | |
| SCHEMBL25465545 | 0.75 | — | — | |
| SCHEMBL20840885 | 0.75 | — | — | |
| SCHEMBL24688713 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |