⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8532769 | 0.93 | — | — | |
| SCHEMBL22768779 | 0.91 | EPHX2 (0.70) | — | |
| SCHEMBL1821072 | 0.91 | EPHX2 (0.80) | — | |
| SCHEMBL13772139 | 0.91 | EPHX2 (0.70) | — | |
| SCHEMBL14860949 | 0.88 | EPHX2 (0.78) | — | |
| SCHEMBL4156371 | 0.88 | EPHX2 (0.82) | — | |
| SCHEMBL24041199 | 0.88 | EPHX2 (0.73) | — | |
| SCHEMBL28788525 | 0.87 | EPHX2 (0.64) | — | |
| SCHEMBL13801556 | 0.87 | EPHX2 (0.76) | — | |
| SCHEMBL10469555 | 0.87 | EPHX2 (0.73) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0432984-B1 | Carbamoyl derivatives | ZENECA LTD (GB) | 1998-03-04 | — | — | EP | claimed |
| EP-0432984-A2 | Carbamoyl derivatives | ZENECA LIMITED (GB) | 1991-06-19 | — | — | EP | claimed |
| EP-0489547-B1 | A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof | ZENECA LTD (GB) | 1998-07-29 | — | — | EP | disclosed |
| EP-0432984-B1 | Carbamoyl derivatives | ZENECA LTD (GB) | 1998-03-04 | — | — | EP | disclosed |
| EP-0531078-B1 | (R)-3-Methoxy-4- 1-methyl-5-(2-methyl-4,4,4-trifluorobutylcarbamoyl)indol-3-ylmethyl -N-(2-methylsulphonyl)benzamide in crystalline form | ZENECA LTD (GB) | 1996-06-05 | — | — | EP | disclosed |
| US-5466826-A | Crystallization of indole derivative from solvents as antiasthmatics | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1995-11-14 | — | — | US | disclosed |
| EP-0489548-B1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LTD (GB) | 1994-12-14 | — | — | EP | disclosed |
| US-5334765-A | Intermediate for leukotriene antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-08-02 | — | — | US | disclosed |
| US-5286740-A | Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-02-15 | — | — | US | disclosed |
| US-5280125-A | Chemical process for the preparation of 3-alkylated indole | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-18 | — | — | US | disclosed |
| US-5274118-A | Process for preparing (2R)-methyl-4,4,4-trifluorobutylamine | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-28 | — | — | US | disclosed |
| EP-0531078-A1 | (R)-3-Methoxy-4- 1-methyl-5-(2-methyl-4,4,4-trifluorobutylcarbamoyl)indol-3-ylmethyl -N-(2-methylsulphonyl)benzamide in crystalline form | ZENECA LIMITED (GB) | 1993-03-10 | — | — | EP | disclosed |
| EP-0489548-A1 | A process for the preparation of 2(R)-methyl-4,4,4-trifluorobutylamine, intermediates, and a process for the preparation of a derivative thereof | ZENECA LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0489547-A1 | A process for the preparation of a 3-alkylated indole, intermediates, and a process for the preparation of a derivative thereof | ZENECA LIMITED (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0432984-A2 | Carbamoyl derivatives | ZENECA LIMITED (GB) | 1991-06-19 | — | — | EP | disclosed |