⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9636864 | 0.81 | — | — | |
| SCHEMBL9636840 | 0.79 | — | — | |
| SCHEMBL9635325 | 0.77 | — | — | |
| Rp-68303 SCHEMBL9635292 | 0.75 | KDM4E (0.60) | — | |
| SCHEMBL9636872 | 0.73 | — | — | |
| SCHEMBL13499597 | 0.72 | SLC6A4 (0.69) | — | |
| SCHEMBL9636839 | 0.71 | — | — | |
| SCHEMBL7220415 | 0.70 | HTR1A (0.59) | — | |
| SCHEMBL7082302 | 0.69 | HTR1A (0.70) | — | |
| SCHEMBL9635459 | 0.68 | L3MBTL1 (0.51) | — |
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 |