SCHEMBL4768222

SCHEMBL4768222

C[C](CC(C)C)C(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 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
SCHEMBL7756801 0.71 ALDH1A1 (0.43) ALDH1A1TDP1CA2
SCHEMBL4654260 0.69
SCHEMBL8846434 0.69 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL2027367 0.67
SCHEMBL506181 0.65
SCHEMBL1289337 0.65 ALDH1A1 (0.43) ALDH1A1TDP1CA2
SCHEMBL10406221 0.65 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL10496937 0.63 ALDH1A1 (0.41) ALDH1A1TDP1CA2
SCHEMBL4653044 0.63 ALDH1A1 (0.41) ALDH1A1TDP1CA2
SCHEMBL10482863 0.63 ALDH1A1 (0.41) ALDH1A1TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199884-B2 Liquid compositions containing urease inhibitors and glycol alkyl ethers and methods of making a use thereof KOCH AGRONOMIC SERVICES, LLC 2015-12-01 US disclosed
US-20140047883-A1 Liquid Compositions Containing Urease Inhibitors and Glycol Alkyl Ethers and Methods of Making a Use Thereof KOCH AGRONOMIC SERVICES, LLC (US) 2014-02-20 US disclosed
EP-1968569-A4 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2008-12-17 EP disclosed
EP-1968569-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS Singapore Polytechnic (SG) 2008-09-17 EP disclosed
WO-2007075145-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2007-07-05 WO disclosed