⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9685582 | 1.00 | — | — | |
| SCHEMBL9467140 | 0.94 | — | — | |
| SCHEMBL9177834 | 0.94 | — | — | |
| SCHEMBL9685587 | 0.92 | — | — | |
| SCHEMBL9466874 | 0.90 | HTR1A (0.43) | — | |
| SCHEMBL9173732 | 0.90 | HTR1A (0.43) | — | |
| SCHEMBL9177843 | 0.86 | — | — | |
| SCHEMBL1037297 | 0.84 | — | — | |
| SCHEMBL9467283 | 0.84 | HTR1A (0.41) | — | |
| SCHEMBL9173735 | 0.81 | HTR1A (0.43) | — |
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 |