⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27990148 | 0.97 | RAB9A (0.40) | — | |
| SCHEMBL3682421 | 0.97 | — | — | |
| SCHEMBL919872 | 0.91 | — | — | |
| SCHEMBL8588368 | 0.84 | RAB9A (0.38) | — | |
| SCHEMBL30843939 | 0.81 | RAB9A (0.43) | — | |
| SCHEMBL29409450 | 0.81 | RAB9A (0.43) | — | |
| SCHEMBL3618326 | 0.81 | RAB9A (0.43) | — | |
| SCHEMBL919403 | 0.78 | — | — | |
| SCHEMBL11573275 | 0.77 | — | — | |
| SCHEMBL27990479 | 0.74 | RAB9A (0.40) | — |
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-4611006-A | 5,6-epoxy-7-oxabicycloheptane substituted ethers useful in the treatment of thrombotic disease | E. R. SQUIBB & SONS, INC. (US) | 1986-09-09 | — | — | US | disclosed |