SCHEMBL7249703

SCHEMBL7249703

CC(C)OCCCCO[C]=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DEGS1 O15121 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
SCHEMBL5430902 0.98 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL7252546 0.98 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1
SCHEMBL7248471 0.95 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1
SCHEMBL5147150 0.85
SCHEMBL7249905 0.80
SCHEMBL4609242 0.79 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1DEGS1
SCHEMBL7249070 0.79 DNM1 (0.31)
SCHEMBL5542071 0.79
SCHEMBL7247718 0.79 DNM1 (0.31)
SCHEMBL5541018 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
CN-1341105-A 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides BASF AG (DE) 2002-03-20 CN disclosed
EP-1157012-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-28 EP disclosed
WO-2000050409-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
EP-0275381-B1 DYE TRANSFER PROCESS BASF Aktiengesellschaft (DE) 1992-03-04 EP disclosed
EP-0275381-A2 Dye transfer process BASF Aktiengesellschaft (DE) 1988-07-27 EP disclosed
US-4760049-A Dye transfer BASF AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed