SCHEMBL7085929

SCHEMBL7085929

[CH2]C(C)(C)C(C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL9004562 0.84 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10936252 0.83 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23494254 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9940075 0.81 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL717361 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29798784 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28245032 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL717362 0.79 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10787047 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL798980 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-105073790-A Solvent-free photocurable resin composition NISSAN CHEMICAL IND LTD 2015-11-18 CN disclosed
CN-100528838-C Oxime ester photoinitiators having composite structures CIBA SC HOLDING AG (CH) 2009-08-19 CN disclosed
CN-1252042-C Oximate light initiator CIBA SC HOLDING AG (CH) 2006-04-19 CN disclosed
CN-1514845-A Oxime ester photoinitiators having composite structures �������⻯ѧƷ�ع����޹�˾ 2004-07-21 CN disclosed
WO-2003068783-A1 ALKOXYLATED ACYL- AND BISACYLPHOSPHINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 WO disclosed
CN-1299812-A Oximate light initiator CIBA SC HOLDING AG (CH) 2001-06-20 CN disclosed