⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3814354 | 0.79 | — | — | |
| SCHEMBL6233640 | 0.71 | — | — | |
| SCHEMBL4065553 | 0.71 | CFTR (0.37) | — | |
| SCHEMBL115447 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL2658732 | 0.66 | GLI1 (0.30) | — | |
| SCHEMBL9343833 | 0.64 | — | — | |
| SCHEMBL3818079 | 0.63 | — | — | |
| SCHEMBL6408186 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL9473820 | 0.62 | IDO1 (0.32) | — | |
| SCHEMBL6084845 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0508449-B1 | Use of nitromethane, nitroethane and 1-nitropropane for inhibiting the degradation of hydrochlorofluorocarbons utilized as foaming agents in the preparation of foamed polyurethanes and polyisocyanurates | AUSIMONT SPA (IT) | 1996-03-20 | — | — | EP | disclosed |
| US-5464882-A | Nitroalkane | AUSIMONT S.P.A. (IT) | 1995-11-07 | — | — | US | disclosed |
| EP-0508449-A1 | Use of nitromethane, nitroethane and 1-nitropropane for inhibiting the degradation of hydrochlorofluorocarbons utilized as foaming agents in the preparation of foamed polyurethanes and polyisocyanurates | AUSIMONT S.p.A. (IT) | 1992-10-14 | — | — | EP | disclosed |