⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15791000 | 0.81 | NOS3 (0.31) | — | |
| SCHEMBL19979162 | 0.81 | NOS3 (0.31) | — | |
| SCHEMBL9866607 | 0.73 | — | — | |
| SCHEMBL19037560 | 0.70 | CHRM2 (0.32) | — | |
| SCHEMBL13381273 | 0.70 | NOS3 (0.31) | — | |
| SCHEMBL21041376 | 0.70 | — | — | |
| SCHEMBL13381254 | 0.68 | TDP1 (0.36) | — | |
| SCHEMBL6052759 | 0.66 | — | — | |
| SCHEMBL4157345 | 0.66 | — | — | |
| SCHEMBL13381271 | 0.65 | — | — |
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-2022262789-A1 | ANTITUMOR COMPOUND AND USE THEREOF | 明慧医药（杭州）有限公司 | 2022-12-22 | — | — | WO | disclosed |