⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8918540 | 1.00 | — | — | |
| SCHEMBL2826624 | 0.75 | ADORA3 (0.37) | — | |
| SCHEMBL10695791 | 0.74 | ADORA3 (0.34) | — | |
| SCHEMBL8919974 | 0.74 | KDM5C (0.41) | — | |
| SCHEMBL8919997 | 0.74 | KDM5C (0.41) | — | |
| SCHEMBL8918200 | 0.73 | MKNK1 (0.33) | — | |
| SCHEMBL8918135 | 0.73 | MAP3K7 (0.32) | — | |
| SCHEMBL8918506 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL8919833 | 0.72 | — | — | |
| SCHEMBL13728021 | 0.72 | KDM4E (0.39) | — |
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-5691366-A | UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |