⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12478276 | 0.97 | — | — | |
| SCHEMBL680277 | 0.75 | NLRP3 (0.39) | — | |
| SCHEMBL17928520 | 0.73 | — | — | |
| SCHEMBL553402 | 0.73 | — | — | |
| SCHEMBL22404229 | 0.72 | CA1 (0.52) | — | |
| SCHEMBL23155980 | 0.71 | — | — | |
| SCHEMBL1097962 | 0.71 | — | — | |
| SCHEMBL10041202 | 0.71 | — | — | |
| SCHEMBL13593040 | 0.71 | POLB (0.39) | — | |
| Hydrochloric Acid SCHEMBL1902590 | 0.71 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200247800-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2020-08-06 | — | — | US | disclosed |
| CN-110914263-A | Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors | 格兰马克药品股份有限公司 | 2020-03-24 | — | — | CN | disclosed |
| EP-3619209-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-03-11 | — | — | EP | disclosed |
| WO-2019201848-A1 | 2-METHYL-AZA-QUINAZOLINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-10-24 | — | — | WO | disclosed |
| US-10253044-B2 | 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2019-04-09 | — | — | US | disclosed |
| WO-2018203298-A1 | SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-08 | — | — | WO | disclosed |
| US-20170210761-A1 | 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-07-27 | — | — | US | disclosed |
| US-9580430-B2 | 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-02-28 | — | — | US | disclosed |
| CN-105764893-A | Heteroaryl substituted pyrazoles | 拜耳制药股份公司 | 2016-07-13 | — | — | CN | disclosed |
| WO-2015131005-A1 | 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2015-09-03 | — | — | WO | disclosed |
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |