SCHEMBL6429277

SCHEMBL6429277

CC(C)(C)CC(C)(C)C.CC(C)(C)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL83729 0.78
SCHEMBL8913 0.78
Propane SCHEMBL1683354 0.75 TSHR (0.36) TSHRTDP1ALDH1A1
SCHEMBL19977187 0.74
Ethane SCHEMBL353672 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
Methane SCHEMBL30637 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
Potassium SCHEMBL183183 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
Water SCHEMBL8067978 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
SCHEMBL31678023 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
SCHEMBL30933076 0.74 ALDH1A1 (0.42) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398954-B1 PRODRUG OF HCV NS5B POLYMERASE INHIBITOR AND METHOD FOR PRODUCING AND USING SAME ALLA CHEM LLC (US) 2020-06-10 EP disclosed
EP-3398954-A1 PRODRUG OF HCV NS5B POLYMERASE INHIBITOR AND METHOD FOR PRODUCING AND USING SAME Alla Chem, LLC (US) 2018-11-07 EP disclosed
US-20050028433-A1 Combustible mixture modifier (cmm) BOLOTOV ALBERT V (KZ) 2005-02-10 US disclosed
WO-2003018724-A2 COMBUSTIBLE MIXTURE MODIFIER (CMM) BOLOTOV ALBERT VASILIEVICH (KZ) 2003-03-06 WO disclosed