SCHEMBL1955477

SCHEMBL1955477

CS(=O)(=O)OC(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
PRKCA P17252 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL10332206 0.85 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7143399 0.85 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1
SCHEMBL7149596 0.85 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1
SCHEMBL7045383 0.82 ALDH1A1 (0.36) ALDH1A1LMNAPRKCA
SCHEMBL7045377 0.82 ALDH1A1 (0.36) ALDH1A1LMNAPRKCA
SCHEMBL17183874 0.78 ALDH1A1 (0.46) ALDH1A1USP2TSHRTP53KDM4E
SCHEMBL6650690 0.78 ALDH1A1 (0.46) ALDH1A1USP2TSHRTP53KDM4E
SCHEMBL19506424 0.76
SCHEMBL18216669 0.76
SCHEMBL5049326 0.76

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60105650-A None JP disclosed
US-9617453-B2 Solvent free aqueous polyurethane dispersions and methods of making and using the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-04-11 US disclosed
US-20110306724-A1 Solvent Free Aqueous Polyurethane Dispersions and Methods of Making and Using the Same AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 US disclosed
EP-2332998-A1 Solvent free aqueous polyurethane dispersions and methods of making and using the same Air Products and Chemicals, Inc. (US) 2011-06-15 EP disclosed
US-5270433-A Polyurethane-based universal household adhesive HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-12-14 US disclosed
JP-S60105650-A GLYCEROL DERIVATIVE, PRODUCTION THEREOF AND PHARMACEUTICAL CONTAINING SAID DERIVATIVE ONO PHARMACEUT CO LTD 1985-06-11 JP disclosed