SCHEMBL8870930

SCHEMBL8870930

CC(S)(S)C(=O)OCCOC(=O)C(C)(S)S

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PRKCA P17252 1/20 0.30
DGKA P23743 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
SCHEMBL4190416 0.91 POLB (0.30) POLBGAANPSR1
SCHEMBL57533 0.87 TSHR (0.38) POLBGAANPSR1ALDH1A1TSHR
SCHEMBL11010319 0.85 MEN1 (0.44) ALDH1A1TSHR
SCHEMBL2528555 0.85 MEN1 (0.44) ALDH1A1TSHR
Ethylene Glycol SCHEMBL3017943 0.84 CYP4F2 (0.40) ALDH1A1TSHR
Ethylene SCHEMBL2522734 0.84 TSHR (0.40) TSHR
SCHEMBL1171758 0.83 PRKCA (0.34) POLBGAANPSR1ALDH1A1TSHR
SCHEMBL4029379 0.82 TSHR (0.34) ALDH1A1TSHR
SCHEMBL4200823 0.82 NAAA (0.32) ALDH1A1TSHR
SCHEMBL623437 0.82 CYP4F2 (0.46) POLBGAAALDH1A1

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-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5525732-A MONO- OR DI-SULFATE SUBSTITUTED ALCOHOLS OR POLYOLS AS INTERMEDIATES FOR WATER OR OIL REPELLENT TREATMENTS FOR TEXTILES OR PAPER SIZINGS CIBA-GEIGY CORPORATION (US) 1996-06-11 US disclosed
US-5491261-A INTERMEDIATES FOR POLYURETHANES, OIL AND WATER REPELLENT MATERIALS; PAPER SIZING CIBA-GEIGY CORPORATION (US) 1996-02-13 US disclosed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP disclosed