⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29380352 | 0.98 | ADH1B (0.47) | — | |
| SCHEMBL29380140 | 0.98 | ADH1B (0.47) | — | |
| SCHEMBL29380868 | 0.98 | ADH1B (0.47) | — | |
| SCHEMBL3915700 | 0.98 | ADH1B (0.47) | — | |
| SCHEMBL28553161 | 0.92 | — | — | |
| SCHEMBL14601128 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL5326446 | 0.81 | — | — | |
| SCHEMBL7872932 | 0.77 | — | — | |
| SCHEMBL7863831 | 0.75 | GPR84 (0.41) | — | |
| SCHEMBL7871168 | 0.75 | GPR84 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4399312-A | HYDROFORMYLATION OF OLEFINS | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1983-08-16 | — | — | US | disclosed |