⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129491 | 0.90 | — | — | |
| SCHEMBL6305480 | 0.87 | SPHK1 (0.38) | — | |
| SCHEMBL128798 | 0.86 | — | — | |
| SCHEMBL7298656 | 0.85 | NAAA (0.33) | — | |
| SCHEMBL126794 | 0.84 | TSHR (0.41) | — | |
| SCHEMBL128161 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL18902542 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL131976 | 0.77 | SPHK1 (0.35) | — | |
| SCHEMBL272707 | 0.77 | — | — | |
| SCHEMBL127921 | 0.77 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980387-A | Serine/threonine kinase inhibitors | 阵列生物制药公司 | 2016-09-28 | — | — | CN | claimed |
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | claimed |
| CN-116848113-A | Bicyclic compounds as HPK1 inhibitors and application thereof | 南京再明医药有限公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| EP-2670734-A1 | NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE | UNIVERSITY OF NOTTINGHAM (GB) | 2013-12-11 | — | — | EP | disclosed |
| US-8450319-B2 | Pyrrolopyridazinone compound | UBE INDUSTRIES, LTD. (JP) | 2013-05-28 | — | — | US | disclosed |
| WO-2012104659-A1 | NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE | UNIVERSITY OF NOTTINGHAM (GB) | 2012-08-09 | — | — | WO | disclosed |
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20090036453-A1 | Pyrrolopyridazinone Compound | UBE INDUSTRIES, LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-1982986-A1 | PYRROLOPYRIDAZINONE COMPOUND | Ube Industries, Ltd. (JP) | 2008-10-22 | — | — | EP | disclosed |
| US-7361743-B2 | Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides | PFIZER INC (US) | 2008-04-22 | — | — | US | disclosed |
| US-20040230046-A1 | Lincomycin derivatives possessing antibacterial activity | VICURON PHARMACEUTICALS INC. | 2004-11-18 | — | — | US | disclosed |
| EP-1237879-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-11 | — | — | EP | disclosed |
| EP-1200428-A1 | SUBSTITUTED BENZOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001044204-A1 | PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |
| WO-2001012625-A2 | SUBSTITUTED BENZOXAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-22 | — | — | WO | disclosed |
| EP-0296878-B1 | MODIFIED POLYSILOXANE-COATED SANITARY RUBBER ARTICLE AND PROCESS FOR ITS PRODUCTION | DAIKYO GOMU SEIKO LTD. (JP) | 1993-09-01 | — | — | EP | disclosed |
| US-5114794-A | Coatings for medical equipment and drug containers for biological injections; adhesion; bonding strength | DAIKYO GOMU SEIKO LTD. (JP) | 1992-05-19 | — | — | US | disclosed |
| US-5110621-A | Radiation with electrons, lasers, or ultraviolet rays to bond | DAIKYO GOMU SEIKO LTD. (JP) | 1992-05-05 | — | — | US | disclosed |
| EP-0296878-A2 | Modified polysiloxane-coated sanitary rubber article and process for its production | DAIKYO GOMU SEIKO LTD. (JP) | 1988-12-28 | — | — | EP | disclosed |