⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3925271 | 0.74 | — | — | |
| SCHEMBL8537968 | 0.68 | — | — | |
| SCHEMBL8183334 | 0.68 | — | — | |
| SCHEMBL6929009 | 0.64 | — | — | |
| SCHEMBL3176447 | 0.64 | AKR1B1 (0.50) | — | |
| SCHEMBL3751899 | 0.62 | CYP1A2 (0.59) | — | |
| SCHEMBL1581483 | 0.62 | KMT2A (0.45) | — | |
| SCHEMBL11330719 | 0.62 | KMT2A (0.56) | — | |
| Hydrochloric Acid SCHEMBL11330726 | 0.62 | KMT2A (0.56) | — | |
| SCHEMBL22792249 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4066834-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS | Infinity Pharmaceuticals, Inc. (US) | 2022-10-05 | — | — | EP | disclosed |
| US-10413562-B2 | Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity | MERCK PATENT GMBH (DE) | 2019-09-17 | — | — | US | disclosed |
| EP-2958907-B1 | BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS | NOVARTIS AG (CH) | 2018-02-28 | — | — | EP | disclosed |
| US-20170204073-A1 | COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE | PTC THERAPEUTICS, INC. (US) | 2017-07-20 | — | — | US | disclosed |
| US-9611230-B2 | 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease | PTC THERAPEUTICS, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| US-20170071936-A1 | PYRIDAZINONE-AMIDES DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-03-16 | — | — | US | disclosed |
| US-9567320-B2 | Pyridazinone-amides derivatives | MERCK PATENT GMBH (DE) | 2017-02-14 | — | — | US | disclosed |
| WO-2014081617-A1 | SUBSTITUTED PYRIDONE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-05-30 | — | — | WO | disclosed |
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |