SCHEMBL28269583

SCHEMBL28269583

CC=C(c1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CES2 O00748 3/20 0.35
▸ DAO P14920 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NQO2 P16083 2/20 0.34

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
SCHEMBL20919883 1.00 CES1 (0.48) CES1ALDH1A1PTGS1MLYCDTSHR
SCHEMBL3731523 0.81 CES1 (0.48) CES1ALDH1A1TSHRCES2DAO
SCHEMBL9275457 0.80 ALDH1A1 (0.39) CES1ALDH1A1TSHRCES2DAO
SCHEMBL15137388 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO
SCHEMBL15137389 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO
SCHEMBL15137342 0.79 CES1 (0.46) CES1ALDH1A1TSHRCES2DAO
SCHEMBL11043913 0.79 CES1 (0.42) CES1ALDH1A1PTGS1MLYCDCES2
SCHEMBL14199923 0.79 CES1 (0.42) CES1ALDH1A1PTGS1MLYCDCES2
SCHEMBL11043916 0.79 CES1 (0.42) CES1ALDH1A1PTGS1MLYCDCES2
SCHEMBL10607011 0.77 CES1 (0.45) CES1ALDH1A1PTGS1TSHRCES2

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
CN-109265588-B Fluorine-containing polymer and method for producing same 北京航天爱锐科技有限责任公司 2020-12-18 — — CN claimed
CN-109265588-A Fluoropolymer and preparation method thereof 北京航天爱锐科技有限责任公司 2019-01-25 — — CN claimed
CN-109265588-B Fluorine-containing polymer and method for producing same 北京航天爱锐科技有限责任公司 2020-12-18 — — CN disclosed
CN-109265588-A Fluoropolymer and preparation method thereof 北京航天爱锐科技有限责任公司 2019-01-25 — — CN disclosed
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