⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9077745 | 0.85 | HTR2C (0.52) | — | |
| SCHEMBL9074765 | 0.84 | HTR2C (0.51) | — | |
| SCHEMBL9077759 | 0.83 | — | — | |
| SCHEMBL9077729 | 0.82 | HTR2C (0.52) | — | |
| SCHEMBL27689470 | 0.80 | HTR2C (0.52) | — | |
| SCHEMBL9078338 | 0.80 | — | — | |
| SCHEMBL9077123 | 0.79 | EBP (0.56) | — | |
| SCHEMBL9075184 | 0.78 | EBP (0.55) | — | |
| SCHEMBL9077676 | 0.77 | MTNR1B (0.47) | — | |
| Hydrochloric Acid SCHEMBL9075247 | 0.76 | — | — |
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-5495046-A | PSYCHOLOGICAL DISORDERS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0641766-A1 | ALKOXYPHENYLALKYLAMINE DERIVATIVE | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1995-03-08 | — | — | EP | disclosed |