SCHEMBL9970464

SCHEMBL9970464

FC(F)(F)c1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
AHR P35869 1/20 0.57
PTGS1 P23219 1/20 0.57
FBP1 P09467 1/20 0.55
NQO2 P16083 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HDAC3 O15379 1/20 0.53
ADAM17 P78536 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CYP1A1 P04798 4/20 0.47
CYP1B1 Q16678 4/20 0.47
P4HB P07237 1/20 0.47
MAOB P27338 1/20 0.44

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
SCHEMBL28777799 0.95 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL7609956 0.91 CYP1A1 (0.59) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790263 0.89 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL22931544 0.89 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790273 0.89 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL6418950 0.89 MAOB (0.58) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL28156045 0.89 CYP1A2 (0.50) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL7987955 0.87 CYP1A2 (0.53) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL7799649 0.87 CYP1A2 (0.53) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL7806247 0.87 CYP1A2 (0.53) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203139-B2 Organic thin film transistor and organic thin film light-emitting transistor using an organic semiconductor layer having an aromatic hydrocarbon group or an aromatic heterocyclic group in the center thereof IDEMITSU KOSAN CO., LTD (JP) 2012-06-19 US disclosed
US-8203139-B2 Organic thin film transistor and organic thin film light-emitting transistor using an organic semiconductor layer having an aromatic hydrocarbon group or an aromatic heterocyclic group in the center thereof IDEMITSU KOSAN CO., LTD (JP) 2012-06-19 US disclosed
US-20100051919-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
US-20100051919-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed