SCHEMBL29953022

SCHEMBL29953022

O=CCc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
BCHE P06276 1/20 0.39
RIPK1 Q13546 1/20 0.38
AKR1B1 P15121 1/20 0.37
ERN1 O75460 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CXCR2 P25025 5/20 0.35
LMNA P02545 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
IDO1 P14902 1/20 0.33
ALKBH1 Q13686 1/20 0.33
MPO P05164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1807270 1.00 CES2 (0.39) CES2CES1BCHERIPK1AKR1B1
SCHEMBL1980395 0.98 CES2 (0.38) CES2CES1BCHERIPK1AKR1B1
SCHEMBL6462646 0.83 CTSS (0.43) CES2CES1BCHETAAR1LMNA
SCHEMBL168715 0.82 TAAR1 (0.48) TAAR1LMNAIDO1MPOALDH1A1
SCHEMBL30079047 0.82 TAAR1 (0.48) TAAR1LMNAIDO1MPOALDH1A1
SCHEMBL6864278 0.80 CTSL (0.39) CES2CES1RIPK1CTSLCTSS
SCHEMBL2556542 0.79 ALDH1A1 (0.40) AKR1B1TAAR1FFAR4IDO1MPO
SCHEMBL15994927 0.79 CYP1A2 (0.38) CES2CES1ERN1TAAR1LMNA
SCHEMBL6927900 0.79 SMN1; SMN2 (0.39) RIPK1ERN1TAAR1LMNAALDH1A1
SCHEMBL1849111 0.79 GABRA1 (0.35) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120154006-A Application of p-fluorobenzaldehyde and composition containing p-fluorobenzaldehyde in attracting cotton bollworms 中国农业科学院植物保护研究所 2025-06-17 CN disclosed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed