⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2000546 | 0.97 | CTSL (0.36) | — | |
| SCHEMBL1593544 | 0.88 | — | — | |
| SCHEMBL14947972 | 0.84 | — | — | |
| SCHEMBL13896968 | 0.84 | ALDH1A1 (0.35) | — | |
| SCHEMBL20531 | 0.82 | CTSL (0.38) | — | |
| SCHEMBL23039739 | 0.79 | CTSL (0.41) | — | |
| SCHEMBL16239892 | 0.79 | CTSL (0.41) | — | |
| SCHEMBL379081 | 0.79 | CTSL (0.41) | — | |
| SCHEMBL29101108 | 0.79 | CTSL (0.41) | — | |
| SCHEMBL869115 | 0.79 | CTSL (0.41) | — |
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-0164987-A2 | 7-Oxabicycloheptane substituted prostaglandin analogs | E.R. Squibb & Sons, Inc. (US) | 1985-12-18 | — | — | EP | disclosed |
| US-4555523-A | 7-Oxabicycloheptane substituted thio prostaglandin analogs and their use in the treatment of thrombolytic disease | E. R. SQUIBB & SONS, INC. (US) | 1985-11-26 | — | — | US | disclosed |