SCHEMBL4578286

SCHEMBL4578286

O=C1OC(=O)c2cc(C#Cc3cccc(F)c3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.69
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL14252062 0.86 GRM5 (0.65) GRM5CA12CA2CA9CA1
SCHEMBL2640689 0.86 GRM5 (0.53) GRM5
SCHEMBL9611211 0.84 GRM5 (0.56) GRM5
SCHEMBL72823 0.82 GRM5 (0.66) GRM5
SCHEMBL14252145 0.81 GRM5 (0.66) GRM5
SCHEMBL27185989 0.79 GRM5 (0.56) GRM5
SCHEMBL12314488 0.78 ALOX15 (0.46) GRM5CA12CA1
SCHEMBL9885476 0.78 GRM5 (0.71) GRM5CA12CA2CA9
SCHEMBL31286312 0.78 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL9302636 0.78 CA12 (0.62) GRM5CA12CA2CA9CA1

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
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP disclosed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed