⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6412092 | 0.77 | — | — | |
| SCHEMBL1071973 | 0.68 | — | — | |
| SCHEMBL1071975 | 0.68 | — | — | |
| Ethane SCHEMBL5192964 | 0.67 | LMNA (0.43) | — | |
| SCHEMBL3090511 | 0.66 | — | — | |
| Trimethylammonium SCHEMBL27278959 | 0.66 | NAAA (0.37) | — | |
| SCHEMBL10451479 | 0.66 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL9459862 | 0.65 | LMNA (0.46) | — | |
| SCHEMBL28251020 | 0.64 | — | — | |
| Dimethylformamide SCHEMBL28322586 | 0.63 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5282988-A | Reacting alkoxylated diorganophosphorodithioate and organic isocyanate compound | MOBIL OIL CORPORATION (US) | 1994-02-01 | — | — | US | disclosed |
| US-5217635-A | Reaction products of hydroxyalkylated polyamines and a diisocyanate/polyether product; ashless dispersants; oxidation resistance; antideposit agents; internal combustion engines | MOBIL OIL CORPORATION (US) | 1993-06-08 | — | — | US | disclosed |
| US-5057122-A | Diisocyanate derivatives as lubricant and fuel additives and compositions containing same | MOBIL OIL CORP. (US) | 1991-10-15 | — | — | US | disclosed |
| US-5053153-A | Diisocyanate derivatives as ashless dispersants and detergents and lubricant compositions containing same | MOBIL OIL CORP. (US) | 1991-10-01 | — | — | US | disclosed |
| US-4897087-A | POLYETHERS CONNECTED TO POLYAMINE USING DIISOCYANATES | MOBIL OIL CORPORATION (US) | 1990-01-30 | — | — | US | disclosed |