⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25002664 | 0.85 | DYRK1A (0.33) | — | |
| SCHEMBL25002506 | 0.84 | PHGDH (0.33) | — | |
| SCHEMBL25002464 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL25003332 | 0.83 | HASPIN (0.31) | — | |
| SCHEMBL25003512 | 0.82 | PLCG1 (0.31) | — | |
| SCHEMBL25003510 | 0.79 | ACACB (0.35) | — | |
| SCHEMBL24896273 | 0.76 | GRM4 (0.38) | — | |
| SCHEMBL24896576 | 0.76 | MCL1 (0.43) | — | |
| SCHEMBL25003311 | 0.74 | KLKB1 (0.31) | — | |
| SCHEMBL25003584 | 0.72 | SYK (0.32) | — |
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-20230039586-A1 | BICYCLIC COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS | NIDO BIOSCIENCES, INC. | 2023-02-09 | — | — | US | disclosed |