⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9174170 | 1.00 | — | — | |
| SCHEMBL9182178 | 0.91 | HTR2C (0.38) | — | |
| SCHEMBL9465763 | 0.91 | HTR2C (0.38) | — | |
| SCHEMBL9175625 | 0.90 | HTR2C (0.44) | — | |
| SCHEMBL1038532 | 0.90 | HTR2C (0.44) | — | |
| SCHEMBL9467351 | 0.88 | DRD4 (0.50) | — | |
| SCHEMBL9467334 | 0.88 | DRD4 (0.50) | — | |
| SCHEMBL9175522 | 0.84 | SIGMAR1 (0.47) | — | |
| SCHEMBL9466299 | 0.84 | SIGMAR1 (0.47) | — | |
| SCHEMBL9179387 | 0.83 | SIGMAR1 (0.53) | — |
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-5194437-A | Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-03-16 | — | — | US | disclosed |