SCHEMBL4754565

SCHEMBL4754565

CCCCCCCCCCCCCCCCCCCC[CH]C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
DNM1 Q05193 4/20 0.39
EP300 Q09472 1/20 0.37
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4754034 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4755745 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4757175 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4754613 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL548091 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4754660 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7616056 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL6050200 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL22207479 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL4754041 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1

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-114901645-A Triazine UV absorbent and preparation method thereof 巴斯夫欧洲公司 2022-08-12 CN disclosed
CN-114846043-A Polyurea copolymers 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN disclosed
CN-113260611-A Method for producing UV absorbers 巴斯夫欧洲公司 2021-08-13 CN disclosed
CN-113260679-A Process for preparing triazine intermediates and process for preparing UV absorbers thereof 巴斯夫欧洲公司 2021-08-13 CN disclosed
WO-2008110612-A2 NOVEL COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-09-18 WO disclosed