⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453497 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4766441 | 0.84 | MEN1 (0.55) | — | |
| SCHEMBL25412667 | 0.83 | NAMPT (0.45) | — | |
| SCHEMBL1046891 | 0.79 | — | — | |
| SCHEMBL4123763 | 0.79 | — | — | |
| SCHEMBL30238017 | 0.78 | PTK2 (0.42) | — | |
| SCHEMBL4556834 | 0.76 | PRNP (0.45) | — | |
| SCHEMBL4164473 | 0.76 | NAMPT (0.41) | — | |
| SCHEMBL19494674 | 0.76 | NAMPT (0.41) | — | |
| SCHEMBL13270693 | 0.76 | NAMPT (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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2865446-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL | KANTO KAGAKU (JP) | 2021-09-22 | — | — | EP | disclosed |
| EP-3360869-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. | UBE INDUSTRIES (JP) | 2020-07-29 | — | — | EP | disclosed |
| US-10597375-B2 | Halogen-substituted heterocyclic compound | UBE INDUSTRIES, LTD. (JP) | 2020-03-24 | — | — | US | disclosed |
| US-10597375-B2 | Halogen-substituted heterocyclic compound | UBE INDUSTRIES, LTD. (JP) | 2020-03-24 | — | — | US | disclosed |
| US-20180258062-A1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2018-09-13 | — | — | US | disclosed |
| US-10000463-B2 | Halogen-substituted heterocyclic compound | UBE INDUSTRIES, LTD. (JP) | 2018-06-19 | — | — | US | disclosed |
| US-10000463-B2 | Halogen-substituted heterocyclic compound | UBE INDUSTRIES, LTD. (JP) | 2018-06-19 | — | — | US | disclosed |
| EP-2940013-B1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES (JP) | 2018-02-21 | — | — | EP | disclosed |
| US-20150376160-A1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2015-12-31 | — | — | US | disclosed |
| US-20150376160-A1 | HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2015-12-31 | — | — | US | disclosed |
| US-7385059-B2 | 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections | ASTEX THERAPEUTICS LIMITED (GB) | 2008-06-10 | — | — | US | disclosed |
| EP-1904454-A2 | PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES | Nycomed GmbH (DE) | 2008-04-02 | — | — | EP | disclosed |
| WO-2006136552-A2 | PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES | NYCOMED GMBH (DE) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006077424-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077425-A1 | COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2006077419-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |
| US-4175195-A | REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-11-20 | — | — | US | disclosed |
| US-4171444-A | REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN ALIPHATIC ALDEHYDE, DEHYDRATING-DEHYDROGENATION CATALYSTS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-10-16 | — | — | US | disclosed |
| US-4110342-A | PENICILLIN AND CEPHALOSPORIN INTERMEDIATES | PFIZER INC. (US) | 1978-08-29 | — | — | US | disclosed |