⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21133533 | 0.71 | — | — | |
| SCHEMBL10282551 | 0.69 | — | — | |
| SCHEMBL19074344 | 0.66 | — | — | |
| SCHEMBL20068165 | 0.63 | TAS1R3 (0.36) | — | |
| SCHEMBL13523924 | 0.62 | — | — | |
| SCHEMBL14899761 | 0.62 | — | — | |
| SCHEMBL19390432 | 0.62 | — | — | |
| SCHEMBL1485551 | 0.61 | — | — | |
| SCHEMBL386453 | 0.61 | — | — | |
| SCHEMBL25472316 | 0.60 | TAS1R3 (0.31) | — |
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-10961216-B2 | Small molecule modulators of the androgen receptor | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2021-03-30 | — | — | US | disclosed |