SCHEMBL15091054

SCHEMBL15091054

CCCCOC(OCCCC)C(=O)C(CC)(CC)C(=O)O.O=[Ti](O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL1579922 0.79
SCHEMBL11282153 0.78 ALDH1A1 (0.33) ALDH1A1TP53TSHRHCAR2ATM
SCHEMBL106787 0.78 ALDH1A1 (0.33) ALDH1A1TSHRATM
SCHEMBL1942208 0.78 ALDH1A1 (0.33) ALDH1A1TSHRATM
SCHEMBL106128 0.78 ALDH1A1 (0.33) ALDH1A1TSHRATM
SCHEMBL1580230 0.76
SCHEMBL647009 0.72 ALDH1A1 (0.32) ALDH1A1TP53TSHRHCAR2ATM
SCHEMBL1263411 0.72 ALDH1A1 (0.32) ALDH1A1TP53TSHRHCAR2ATM
SCHEMBL645728 0.72 ALDH1A1 (0.32) ALDH1A1TP53TSHRHCAR2ATM
SCHEMBL5079693 0.69 ALDH1A1 (0.44) ALDH1A1TP53TSHRHCAR2ATM

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-8846808-B2 Curable organopolysiloxane composition WACKER CHEMIE AG (DE) 2014-09-30 US disclosed
US-20130178581-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITION WACKER CHEMIE AG (DE) 2013-07-11 US disclosed