⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30939540 | 0.89 | AR (0.37) | — | |
| SCHEMBL9905017 | 0.89 | AR (0.37) | — | |
| SCHEMBL9904640 | 0.86 | ELANE (0.31) | — | |
| SCHEMBL30939568 | 0.86 | ELANE (0.31) | — | |
| SCHEMBL21953190 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL18053272 | 0.80 | TAS2R8 (0.31) | — | |
| SCHEMBL15546404 | 0.79 | CYP2C9 (0.39) | — | |
| Aut-00206 SCHEMBL9904925 | 0.78 | AR (0.36) | — | |
| SCHEMBL9904667 | 0.78 | — | — | |
| SCHEMBL19846867 | 0.78 | — | — |
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-20180036308-A1 | NOVEL COMPOUNDS | AUTIFONY SRL (IT) | 2018-02-08 | — | — | US | disclosed |