SCHEMBL15939732

SCHEMBL15939732

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].C[O-].C[O-].C[O-].C[O-].[Ti+4].[Ti+4]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL32664729 1.00 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL32664468 1.00 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL28917443 1.00 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10
SCHEMBL29511758 0.94
SCHEMBL6756409 0.94 TSHR (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL30577237 0.94 TSHR (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL379510 0.94 TSHR (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL7085 0.94 TSHR (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL3356662 0.94 TSHR (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL23521060 0.88 ALDH1A1 (0.30) ALDH1A1TSHRHSD17B10

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-20170067172-A1 CATALYST COATING AND PROCESS FOR PRODUCTION THEREOF COVESTRO DEUTSCHLAND AG (DE) 2017-03-09 US disclosed
US-20140224667-A1 Catalyst Coating and Process for Production Thereof NANO-X-GMBH (DE) 2014-08-14 US disclosed