SCHEMBL3133197

SCHEMBL3133197

CC(C)(O)C(=O)[O-].CC(C)(O)C(=O)[O-].[PbH2+2]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CA1 P00915 2/20 0.40
CA4 P22748 4/20 0.36
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
FAHD1 Q6P587 1/20 0.31
LMNA P02545 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
SCHEMBL9323175 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
SCHEMBL10458537 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
SCHEMBL5014719 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
SCHEMBL9322302 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
SCHEMBL3133203 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
Lithium Ion SCHEMBL3855722 0.92
SCHEMBL3860699 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
Potassium Ion SCHEMBL1421665 0.92
SCHEMBL8167789 0.92 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA4HMGCR
Silver SCHEMBL8940458 0.92

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-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 WO disclosed