⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL440739 | 0.79 | PDE3B (0.37) | — | |
| SCHEMBL8919038 | 0.78 | POLB (0.38) | — | |
| Hydrochloric Acid SCHEMBL4651135 | 0.78 | PDE3B (0.36) | — | |
| SCHEMBL8918193 | 0.71 | — | — | |
| SCHEMBL8918128 | 0.71 | USP7 (0.32) | — | |
| SCHEMBL8918638 | 0.71 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL3205410 | 0.71 | PTGDR (0.33) | — | |
| SCHEMBL8918233 | 0.70 | JAK3 (0.31) | — | |
| SCHEMBL14917466 | 0.70 | NOS2 (0.43) | — | |
| SCHEMBL8922863 | 0.69 | GABRP (0.31) | — |
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 |