⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11249964 | 0.89 | HTR1A (0.51) | — | |
| Hydrochloric Acid SCHEMBL10896178 | 0.88 | HTR1A (0.50) | — | |
| SCHEMBL10905719 | 0.87 | DRD2 (0.52) | — | |
| SCHEMBL11249894 | 0.85 | HTR7 (0.46) | — | |
| SCHEMBL11244508 | 0.85 | HTR2A (0.52) | — | |
| SCHEMBL10896514 | 0.85 | DRD2 (0.62) | — | |
| SCHEMBL10898652 | 0.85 | HTR2A (0.50) | — | |
| SCHEMBL10892073 | 0.80 | HTR7 (0.55) | — | |
| Bromide SCHEMBL11240851 | 0.79 | HTR7 (0.54) | — | |
| SCHEMBL11073263 | 0.74 | DRD2 (0.50) | — |
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-4352811-A | NEUROLEPTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1982-10-05 | — | — | US | claimed |