SCHEMBL5368752

SCHEMBL5368752

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5138300 0.85 HIF1A (0.41) ALDH1A1TSHRHIF1A
SCHEMBL14724245 0.77 ALDH1A1 (0.33) ALDH1A1TSHRHIF1A
SCHEMBL21404111 0.77
SCHEMBL24296304 0.77 MAPK1 (0.30)
SCHEMBL5606177 0.74 TSHR (0.35) ALDH1A1TSHR
SCHEMBL14615324 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10287787 0.73 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL2151831 0.72
SCHEMBL22927907 0.72
SCHEMBL269537 0.71

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
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
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