SCHEMBL5833834

SCHEMBL5833834

C=C(C)C#N.C=CC(=O)OCCCC

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.73
HPGD P15428 1/20 0.73
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 1/20 0.53
ATM Q13315 1/20 0.52
HCAR2 Q8TDS4 3/20 0.46
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.37

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
SCHEMBL5834369 1.00 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27608864 0.90 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11810623 0.88 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3195579 0.88 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Water SCHEMBL28083611 0.88 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3629361 0.87 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL2146545 0.86 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
Acrylonitrile SCHEMBL5833833 0.86 TSHR (0.79) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL6463318 0.86 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL23070758 0.86 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1271126-C Method for extracting polymer dispersion or solution ROHM & HAAS (US) 2006-08-23 CN disclosed
US-7094833-B2 Block copolymer KANEKA CORPORATION 2006-08-22 US disclosed
CN-1246339-C Prepn. of polymer ROHM & HAAS (US) 2006-03-22 CN disclosed
CN-1188462-C Polymer compositions ROHM & HAAS (US) 2005-02-09 CN disclosed
US-20040236020-A1 Block copolymer KANEKA CORPORATION (JP) 2004-11-25 US disclosed
CN-1495224-A Method for extracting polymer dispersion or solution ������������� 2004-05-12 CN disclosed
CN-1149227-C Process for preparing polymer 罗姆和哈斯公司 2004-05-12 CN disclosed
EP-1411070-A1 BLOCK COPOLYMER KANEKA CORPORATION (JP) 2004-04-21 EP disclosed
CN-1144819-C Method for extracting polymer dispersions or solutions ������������� 2004-04-07 CN disclosed
CN-1125000-C Application of polymer in plaster wall slab ROHM & HAAS (US) 2003-10-22 CN disclosed
CN-1113827-C Application of polymer in brick-stone building field ROHM & HAAS (US) 2003-07-09 CN disclosed
CN-1286270-A Method for extracting polymer dispersions or solutions ROHM & HAAS (US) 2001-03-07 CN disclosed
CN-1274730-A Prepn. of polymer ROHM & HAAS (US) 2000-11-29 CN disclosed
CN-1270964-A Process for preparing polymer ROHM & HAAS CORP (US) 2000-10-25 CN disclosed
CN-1270977-A Composition for treating timber ROHM & HAAS CORP (US) 2000-10-25 CN disclosed
CN-1267693-A Application of polymer using as backing coating ROHM & HAAS (US) 2000-09-27 CN disclosed
CN-1266032-A Application of polymer in plaster wall slab ROHM & HAAS (US) 2000-09-13 CN disclosed
CN-1260372-A Use of polymer as polisher for furniture ROHM & HAAS (US) 2000-07-19 CN disclosed
CN-1253923-A Application of polymer in brick-stone building field ROHM & HAAS (US) 2000-05-24 CN disclosed
CN-1203245-A Polymer compositions ROHM & HAAS (US) 1998-12-30 CN disclosed