SCHEMBL29144381

SCHEMBL29144381

FC(F)(F)c1ccc(C#C[SiH3])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 1/20 0.34
▸ IDO1 P14902 1/20 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
SCHEMBL16747679 0.85 KIF11 (0.56) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL14998069 0.85 KIF11 (0.56) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL7699654 0.80 KIF11 (0.52) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL3827578 0.76 KIF11 (0.48) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL28409237 0.76 KIF11 (0.48) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL9419907 0.76 KIF11 (0.48) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL21332628 0.76 KIF11 (0.48) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL2830955 0.76 ALDH1A1 (0.59) KIF11ALDH1A1TSHRTRPV6
SCHEMBL5539093 0.76 KIF11 (0.48) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL672493 0.74 KIF11 (0.64) KIF11CES2CES1ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203556-A High refractive index and high birefringence solid organic material 元平台技术有限公司 2023-12-08 — — CN disclosed
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