⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1712103 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28842337 | 0.98 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28137246 | 0.98 | CYP3A4 (0.33) | — | |
| SCHEMBL31314866 | 0.89 | CYP2D6 (0.41) | — | |
| SCHEMBL5944019 | 0.89 | CYP2D6 (0.41) | — | |
| SCHEMBL31314878 | 0.89 | CYP2D6 (0.41) | — | |
| SCHEMBL6264044 | 0.88 | CYP2D6 (0.36) | — | |
| SCHEMBL1307333 | 0.86 | HSD17B10 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28137967 | 0.84 | TYMP (0.37) | — | |
| SCHEMBL28204247 | 0.83 | AKR1C3 (0.37) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053457-B2 | 3-imidazolyl-indoles for the treatment of proliferative diseases | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | claimed |
| US-20100125064-A1 | 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases | NOVARTIS AG (CH) | 2010-05-20 | — | — | US | claimed |
| EP-2142535-A2 | 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis Ag (CH) | 2010-01-13 | — | — | EP | claimed |
| WO-2008119741-A2 | 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2008-10-09 | — | — | WO | claimed |
| CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 科尔沃斯制药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |
| US-8053457-B2 | 3-imidazolyl-indoles for the treatment of proliferative diseases | NOVARTIS AG (CH) | 2011-11-08 | — | — | US | disclosed |
| US-20100125064-A1 | 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases | NOVARTIS AG (CH) | 2010-05-20 | — | — | US | disclosed |
| EP-2142535-A2 | 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis Ag (CH) | 2010-01-13 | — | — | EP | disclosed |
| WO-2008119741-A2 | 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2008-10-09 | — | — | WO | disclosed |