⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25354537 | 1.00 | — | — | |
| SCHEMBL30454209 | 0.84 | HSD17B10 (0.36) | — | |
| SCHEMBL25356919 | 0.84 | HSD17B10 (0.36) | — | |
| SCHEMBL30453142 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL25356115 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL23977073 | 0.73 | EED (0.36) | — | |
| SCHEMBL25352654 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL25353387 | 0.72 | CA2 (0.43) | — | |
| SCHEMBL31690348 | 0.68 | MEN1 (0.38) | — | |
| SCHEMBL30280612 | 0.68 | PKM (0.40) | — |
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-2023122000-A1 | BCL-2 INHIBITORS | NEWAVE PHARMACEUTICAL INC. (US) | 2023-06-29 | — | — | WO | disclosed |