SCHEMBL27991997

SCHEMBL27991997

C=CC(=O)OCCC.CCCCN(CCCC)CCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
HPGD P15428 1/20 0.67
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.46
THRB P10828 4/20 0.44
HCAR2 Q8TDS4 4/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
Hydrochloric Acid SCHEMBL28019199 0.98 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL142508 0.93 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL223929 0.93 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2830765 0.91 TSHR (0.70) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11319490 0.90 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11279409 0.90 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21714439 0.89 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11306794 0.88 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11314790 0.88 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11313531 0.88 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53

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-108752573-A Polymer blend and preparation method thereof 陶氏环球技术有限责任公司 2018-11-06 CN disclosed
CN-107413607-A The method for preparing the case of coating or the closing device of coating 陶氏环球技术有限责任公司 2017-12-01 CN disclosed
CN-104691907-B The case of coating or the closing device of coating 陶氏环球技术有限责任公司 2017-09-08 CN disclosed
CN-106084683-A Coating composition and the goods prepared by this coating composition 陶氏环球技术有限责任公司 2016-11-09 CN disclosed
CN-103502322-B Coating compositions and articles prepared therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-02 CN disclosed
CN-102686489-B Case, its preparation method of coating DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 CN disclosed
CN-104691907-A Coated container device or coated closing device DOW GLOBAL TECHNOLOGIES INC 2015-06-10 CN disclosed
CN-102498043-B Coated container device or coated closure device DOW GLOBAL TECHNOLOGIES INC 2015-02-18 CN disclosed
CN-104350114-A Polyester composition and process for producing the same DOW GLOBAL TECHNOLOGIES INC 2015-02-11 CN disclosed