SCHEMBL8962436

SCHEMBL8962436

C=C(C)C(=O)OCCC[Si](C)(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 4/20 0.43
THRB P10828 1/20 0.37
ELANE P08246 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL4807093 0.87 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL9715814 0.87 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL26282469 0.86 TDP1 (0.48) TDP1POLBAPEX1HTTTSHR
SCHEMBL3101732 0.86 TDP1 (0.48) TDP1POLBAPEX1HTTTSHR
SCHEMBL27433562 0.84 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL13488577 0.84 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL17373022 0.84 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL10629482 0.84 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL4860744 0.82 TDP1 (0.45) TDP1POLBAPEX1HTTTSHR
SCHEMBL9764044 0.82 TDP1 (0.45) TDP1POLBAPEX1HTTTSHR

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-5554706-A LOW TEMPERATURE LIQUID CRYSTALS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0695770-A1 COPOLYMER HAVING LIQUID CRYSTAL GROUP IN THE SIDE CHAIN SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-02-07 EP disclosed
US-5098981-A POLYORGANOSILOXANE CHISSO CORPORATION (JP) 1992-03-24 US disclosed
EP-0349920-A2 Polyorganosiloxane Chisso Corporation (JP) 1990-01-10 EP disclosed