⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301181 | 0.93 | — | — | |
| SCHEMBL4580555 | 0.69 | — | — | |
| SCHEMBL301200 | 0.68 | TDP1 (0.32) | — | |
| SCHEMBL14218657 | 0.68 | — | — | |
| SCHEMBL12713908 | 0.68 | — | — | |
| SCHEMBL15894646 | 0.68 | — | — | |
| SCHEMBL20858697 | 0.68 | KDM1A (0.31) | — | |
| SCHEMBL283961 | 0.68 | KDM1A (0.31) | — | |
| SCHEMBL24929114 | 0.67 | — | — | |
| SCHEMBL15656978 | 0.67 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2610248-B1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND | TEIJIN PHARMA LTD (JP) | 2016-06-08 | — | — | EP | disclosed |
| US-8952174-B2 | Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst | TEIJIN PHARMA LIMITED (JP) | 2015-02-10 | — | — | US | disclosed |
| US-8916714-B2 | Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound | TEIJIN PHARMA LIMITED (JP) | 2014-12-23 | — | — | US | disclosed |
| EP-2610248-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND | Teijin Pharma Limited (JP) | 2013-07-03 | — | — | EP | disclosed |
| US-20130158272-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND | TEIJIN PHARMA LIMITED (JP) | 2013-06-20 | — | — | US | disclosed |
| EP-2404908-A1 | PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST | Teijin Pharma Limited (JP) | 2012-01-11 | — | — | EP | disclosed |
| US-20110313169-A1 | PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST | TEIJIN PHARMA LIMITED (JP) | 2011-12-22 | — | — | US | disclosed |
| EP-0900184-B1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEM PLASTIC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1021392-B1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEM PLASTIC (US) | 2002-12-18 | — | — | EP | disclosed |
| US-6369283-B1 | PENTENEOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORP. | 2002-04-09 | — | — | US | disclosed |
| US-6184391-B1 | 3-PENTEN-1-OLS FROM BUTADIENE, CATALYSTS HAVING CARBONYLATION/ISOMERIZATION CAPABILITIES. METAL-ORGANOPHOSPHORUS LIGAND COMPLEX CATALYST, | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-02-06 | — | — | US | disclosed |
| US-6172269-B1 | REACTING AN ALKADIENE WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF A METAL-LIGAND CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-01-09 | — | — | US | disclosed |
| EP-1021392-A1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |
| US-6034286-A | CATALYTIC REACTING ALKADIENE WITH CARBON MONOXIDE AND HYDROGEN | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0900184-A1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-03-10 | — | — | EP | disclosed |
| EP-0872482-A2 | Process for producing epsilon caprolactones and/or hydrates and/or esters thereof | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-21 | — | — | EP | disclosed |
| US-5817883-A | HYDROCARBONYLATION AND HYDROFORMYLATION OF ALKADIENES OR HYDROCARBONYLATION OF PENTANALS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| WO-1997039995-A1 | PROCESSES FOR PRODUCING UNSATURATED ALCOHOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997039998-A1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997040000-A1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |