SCHEMBL6301692

SCHEMBL6301692

CCCCCC[O-].CCCCCC[O-].CCCCCC[O-].Cl[Ti+3]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THRB P10828 1/20 0.50
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
ALDH1A1 P00352 4/20 0.45
EPHX2 P34913 1/20 0.39
DNM1 Q05193 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6301710 0.97 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
Lithium Ion SCHEMBL938657 0.87
SCHEMBL5074438 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Lithium Ion SCHEMBL15135032 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL344563 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Lithium Ion SCHEMBL939261 0.87
SCHEMBL4927361 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Lithium Ion SCHEMBL10406853 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL11353224 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL3066829 0.87 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed