⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10981740 | 0.84 | — | — | |
| SCHEMBL10986945 | 0.73 | — | — | |
| SCHEMBL1657659 | 0.63 | MAPK1 (0.30) | — | |
| SCHEMBL1657661 | 0.63 | MAPK1 (0.30) | — | |
| SCHEMBL9628883 | 0.62 | — | — | |
| Fluoride SCHEMBL11521122 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL8960383 | 0.59 | — | — | |
| SCHEMBL8424447 | 0.59 | — | — | |
| SCHEMBL30412817 | 0.58 | — | — | |
| SCHEMBL9201431 | 0.56 | PPARG (0.52) | — |
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-0140307-A2 | 7-Oxabicycloheptane ethers | E.R. Squibb & Sons, Inc. (US) | 1985-05-08 | — | — | EP | disclosed |
| US-4513103-A | 7-Oxabicycloheptane ethers useful in the treatment of thrombolytic disease | E. R. SQUIBB & SONS, INC. (US) | 1985-04-23 | — | — | US | disclosed |