SCHEMBL9162272

SCHEMBL9162272

C=C(CCOCCCC)OC(=C)CCOCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL3939348 0.91 HTT (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL21174465 0.86 HSD17B10 (0.36) TSHR
SCHEMBL21518299 0.81 TSHR (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL16485010 0.79 TSHR (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL6883385 0.79 TSHR (0.52) TSHRMEN1THRBHTTKMT2A
Di(Hydroxyethyl)Ether SCHEMBL150764 0.78 TSHR (0.58) TSHRMEN1THRBHTTKMT2A
SCHEMBL2464962 0.78 ALDH1A1 (0.43) TSHRMEN1THRBKMT2AALDH1A1
SCHEMBL19480 0.78 CES1 (0.41) TSHRTHRBSMN1; SMN2ALDH1A1CES2
SCHEMBL28158590 0.78 TSHR (0.62) TSHRMEN1THRBHTTKMT2A
SCHEMBL1101179 0.75 CES2 (0.43) TSHRMEN1KMT2AALDH1A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514133-A1 METHOD FOR REMOVING OR COLLECTING 2-ALKOXYETHANOL, AND METHOD FOR PRODUCING (2-ALKOXYETHYL) VINYL ETHER Maruzen Petrochemical Co., Ltd. (JP) 2019-07-24 EP disclosed
EP-0272215-B1 Process for obtaining images CIBA GEIGY AG (CH) 1995-03-08 EP disclosed
US-4857437-A Process for the formation of an image CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed
US-4777214-A SOLVENT RESISTANCE, HEAT RESISTANCE, DIELECTRICS RAYCHEM CORPORATION (US) 1988-10-11 US disclosed
EP-0272215-A2 Process for obtaining images CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
EP-0192397-A1 Blends of poly(arylene ether ketones) and tetrafluoroethylene copolymers RAYCHEM CORPORATION (a Delaware corporation) (US) 1986-08-27 EP disclosed