⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9990819 | 1.00 | — | — | |
| SCHEMBL301018 | 1.00 | — | — | |
| SCHEMBL10905091 | 1.00 | — | — | |
| SCHEMBL3171223 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22531839 | 0.97 | — | — | |
| SCHEMBL301146 | 0.97 | — | — | |
| SCHEMBL3180439 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL17491838 | 0.92 | — | — | |
| SCHEMBL301250 | 0.91 | — | — | |
| SCHEMBL31416085 | 0.90 | — | — |
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 7 patents. 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 |