SCHEMBL31091013

SCHEMBL31091013

O=P(O)(O)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.64
IDO1 P14902 2/20 0.58
NR4A2 P43354 2/20 0.56
MAOB P27338 6/20 0.55
PRKCA P17252 1/20 0.52
PRKCD Q05655 1/20 0.52
PGK1 P00558 1/20 0.50
PGK2 P07205 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
MMP1 P03956 1/20 0.49
MMP12 P39900 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MLYCD O95822 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL20850559 0.84 ACP3 (0.44) ACP3IDO1NR4A2MAOBPGK1
SCHEMBL27831115 0.80 IDO1 (0.54) ACP3IDO1NR4A2MAOBPRKCA
SCHEMBL28852147 0.80 IDO1 (0.53) IDO1MAOBALDH1A1
SCHEMBL8938031 0.78 ACP3 (1.00) ACP3IDO1PGK1PGK2MAPT
SCHEMBL30438454 0.78 ACP3 (1.00) ACP3IDO1PGK1PGK2MAPT
SCHEMBL30705760 0.78 IDO1 (0.55) IDO1NR4A2MAOBMMP1MMP12
SCHEMBL30705791 0.78 IDO1 (0.55) IDO1NR4A2MAOBMMP1MMP12
SCHEMBL28366433 0.78 TSHR (0.50) MAPTALDH1A1
SCHEMBL16403706 0.77 IDO1 (0.58) ACP3IDO1NR4A2MAOBPRKCA
SCHEMBL8956972 0.77 ACP3 (0.68) ACP3IDO1NR4A2MAOBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118678856-A Hole transport material, application thereof, solar cell and preparation method thereof 天合光能股份有限公司 2024-09-20 CN claimed
CN-118678856-A Hole transport material, application thereof, solar cell and preparation method thereof 天合光能股份有限公司 2024-09-20 CN disclosed