SCHEMBL21148416

SCHEMBL21148416

CC(O)C=C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL12868504 0.81
SCHEMBL19242383 0.74
SCHEMBL24952040 0.72
SCHEMBL24951247 0.70 TSHR (0.30)
SCHEMBL1998652 0.69
SCHEMBL23917213 0.67
SCHEMBL3950198 0.67
SCHEMBL23917046 0.66
SCHEMBL23675035 0.65
SCHEMBL12224066 0.65

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964938-B2 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists CELON PHARMA S.A. (PL) 2024-04-23 US disclosed
EP-3737470-B9 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2024-03-13 EP disclosed
EP-3737470-B1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2022-12-14 EP disclosed
EP-3737470-B1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2022-12-14 EP disclosed
US-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2020-12-24 US disclosed
WO-2019134984-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2019-07-11 WO disclosed