SCHEMBL9728575

SCHEMBL9728575

CC(=O)OC(=O)CC(O)(CC(=O)OC(C)=O)C(=O)O.[AlH3].[AlH3]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL8107357 0.98 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL28189565 0.96 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL14164382 0.96 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL21048440 0.94 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1HMGCR
Hydrochloric Acid SCHEMBL29290399 0.94 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL324871 0.92 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL28185558 0.92 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10TDP1HMGCR
Citric Acid SCHEMBL667369 0.92 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10TDP1HMGCR
Acetic Acid SCHEMBL16447666 0.90 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1HMGCR
SCHEMBL20187424 0.90 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1HMGCR

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-5162413-A Salt-containing surface coating polymer compositions and substrates coated therewith UNION OIL COMPANY OF CALIFORNIA (US) 1992-11-10 US disclosed
US-5041487-A Sol/gel polymer surface coatings and tannin block enhancement UNION OIL COMPANY OF CALIFORNIA (US) 1991-08-20 US disclosed