SCHEMBL6910772

SCHEMBL6910772

CC(C)(C)CC(C)(C)C(CC(C)(C)C)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL20182814 0.81 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16675272 0.76 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Bicarbonate SCHEMBL2938234 0.72 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL8356639 0.70 ALDH1A1 (0.34) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Bicarbonate SCHEMBL26105671 0.70 TSHR (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL1743650 0.69 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85014 0.69 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL17376853 0.69 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14831849 0.69 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL2221670 0.69 CYP2C19 (0.46) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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
EP-0918802-B2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2004-10-06 EP disclosed
EP-0918802-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2001-11-14 EP disclosed
US-6294497-B1 COMPRISING A TITANIUM COMPOUND, HAVING AT LEAST A TI-HALOGEN BOND AND AN ELECTRON DONER WHICH MAY BE A SUBSTITUTED MALONIC DIESTER, A 1,3-DIETHER OR A SILOXY COMPOUND SUPPORTED ON A MG HALIDE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-09-25 US disclosed
EP-0918802-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-06-02 EP disclosed
WO-1998056830-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO disclosed