⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9636867 | 0.92 | DRD2 (0.49) | — | |
| SCHEMBL9635346 | 0.88 | — | — | |
| SCHEMBL9636882 | 0.88 | — | — | |
| SCHEMBL9636846 | 0.88 | HTR1A (0.49) | — | |
| SCHEMBL9636836 | 0.83 | — | — | |
| SCHEMBL9757338 | 0.81 | ADRA1D (0.60) | — | |
| SCHEMBL9635479 | 0.80 | — | — | |
| SCHEMBL9636997 | 0.76 | HTR7 (0.53) | — | |
| SCHEMBL9757300 | 0.76 | KDM4E (0.53) | — | |
| SCHEMBL9635434 | 0.76 | MPO (0.57) | — |
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-5114949-A | Treating disorders associated with 5HT uptake | RHONE-POULENC SANTE (FR) | 1992-05-19 | — | — | US | disclosed |