SCHEMBL16416754

SCHEMBL16416754

C=CCOC(=O)/C(=C\C(=O)O)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL28797583 0.77 TSHR (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL3264903 0.74 CYP3A4 (0.45) CYP3A4TSHRMAPT
SCHEMBL2869091 0.73 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL1075819 0.72 TSHR (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL1075821 0.72 TSHR (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL4123048 0.72 CYP3A4 (0.36) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL4123042 0.72 CYP3A4 (0.36) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL8520112 0.71 TSHR (0.33) TSHR
SCHEMBL177943 0.71 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL3902728 0.70 CYP3A4 (0.35) CYP3A4TSHRMAPTCACNA1BAPBA1

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-116554732-A Capsule dispersion for inkjet and preparation method thereof 广东核心新材料股份有限公司 2023-08-08 CN claimed
EP-3024873-A1 POLYMERIC SURFACTANT Huntsman Petrochemical LLC (US) 2016-06-01 EP disclosed
US-20160145382-A1 POLYMERIC SURFACTANT HUNTSMAN PETROCHEMICAL LLC 2016-05-26 US disclosed
WO-2015013011-A1 POLYMERIC SURFACTANT HUNTSMAN PETROCHEMICAL LLC (US) 2015-01-29 WO disclosed