⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL264678 | 1.00 | — | — | |
| SCHEMBL148424 | 0.73 | — | — | |
| SCHEMBL2727302 | 0.70 | — | — | |
| SCHEMBL1579883 | 0.69 | CYP2C9 (0.55) | — | |
| SCHEMBL20176818 | 0.69 | RAB9A (0.52) | — | |
| SCHEMBL1579884 | 0.69 | CYP2C9 (0.55) | — | |
| SCHEMBL1579880 | 0.69 | CYP2C9 (0.55) | — | |
| SCHEMBL28272902 | 0.69 | — | — | |
| SCHEMBL10413780 | 0.69 | — | — | |
| SCHEMBL4594308 | 0.69 | — | — |
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-2019142126-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2019-07-25 | — | — | WO | disclosed |