⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10453268 | 0.78 | — | — | |
| SCHEMBL11351354 | 0.74 | — | — | |
| SCHEMBL492152 | 0.72 | — | — | |
| SCHEMBL9063785 | 0.69 | — | — | |
| SCHEMBL10545171 | 0.63 | — | — | |
| SCHEMBL52052 | 0.63 | — | — | |
| SCHEMBL458646 | 0.63 | — | — | |
| SCHEMBL3941195 | 0.63 | — | — | |
| SCHEMBL2399459 | 0.63 | — | — | |
| SCHEMBL3041085 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |
| US-4529751-A | Reacting aldehydes with bisphenol A or F | SUMITOMO DUREZ COMPANY, LTD. (JP) | 1985-07-16 | — | — | US | disclosed |