⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9757450 | 0.91 | HTR7 (0.61) | — | |
| SCHEMBL9757570 | 0.90 | — | — | |
| SCHEMBL9757339 | 0.90 | HTR1A (0.66) | — | |
| SCHEMBL9757173 | 0.89 | HTR7 (0.64) | — | |
| SCHEMBL9757463 | 0.88 | HTR7 (0.63) | — | |
| SCHEMBL9871315 | 0.87 | HTR7 (0.55) | — | |
| SCHEMBL9757629 | 0.84 | HTR7 (0.54) | — | |
| SCHEMBL7048455 | 0.84 | — | — | |
| SCHEMBL9757366 | 0.81 | HTR7 (0.49) | — | |
| Hydrochloric Acid SCHEMBL9757178 | 0.80 | HTR7 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5036075-A | Serotonin antagonists | RHONE-POULENC SANTE (FR) | 1991-07-30 | — | — | US | disclosed |
| US-5021420-A | Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders | RHONE-POULENC SANTE (FR) | 1991-06-04 | — | — | US | disclosed |