SCHEMBL317579

SCHEMBL317579

C=C(OC1CCCCC1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
EPHX1 P07099 2/20 0.47
ALDH1A1 P00352 7/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL28992582 0.98 NAAA (0.46) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL27724657 0.86 NAAA (0.45) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL1999691 0.86 EPHX1 (0.47) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL7034602 0.84 EPHX1 (0.46) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL6541881 0.83 EPHX1 (0.52) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL9292325 0.83 EPHX1 (0.45) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL528947 0.80 NAAA (0.46) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL28514462 0.79 ALDH1A1 (0.34) NAAAALDH1A1TSHRSMN1; SMN2ALOX15
SCHEMBL7814661 0.79 EPHX1 (0.47) NAAAEPHX1ALDH1A1HTTTSHR
SCHEMBL28517982 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTHRBSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110730673-B High refractive index, high Abbe number intraocular lens materials 爱尔康公司 2022-04-19 CN claimed
CN-110730673-A High refractive index, high Abbe number intraocular lens materials 爱尔康公司 2020-01-24 CN claimed
CN-110730673-B High refractive index, high Abbe number intraocular lens materials 爱尔康公司 2022-04-19 CN disclosed
US-20160220348-A1 REFRACTIVE-DIFFRACTIVE OPHTHALMIC DEVICE AND COMPOSITIONS USEFUL FOR PRODUCING SAME DAVE, Jagrat Natavar (IN) 2016-08-04 US disclosed
EP-2591026-B1 REFRACTIVE-DIFFRACTIVE OPHTHALMIC DEVICE AND COMPOSITIONS USEFUL FOR PRODUCING SAME DAVE JAGRAT NATAVAR (IN) 2016-05-04 EP disclosed
US-9310624-B2 Refractive-diffractive ophthalmic device and compositions useful for producing same Jagrat Natavar DAVE (IN) 2016-04-12 US disclosed
EP-2591026-A2 REFRACTIVE-DIFFRACTIVE OPHTHALMIC DEVICE AND COMPOSITIONS USEFUL FOR PRODUCING SAME Polymer Technologies International (EOU) (IN) 2013-05-15 EP disclosed
US-20130107201-A1 REFRACTIVE-DIFFRACTIVE OPHTHALMIC DEVICE AND COMPOSITIONS USEFUL FOR PRODUCING SAME POLYMER TECHNOLOGIES INTERNATIONAL (EOU) (IN) 2013-05-02 US disclosed
WO-2012004746-A2 REFRACTIVE-DIFFRACTIVE OPHTHALMIC DEVICE AND COMPOSITIONS USEFUL FOR PRODUCING SAME POLYMER TECHNOLOGIES INTERNATIONAL (EOU) (IN) 2012-01-12 WO disclosed