SCHEMBL6830601

SCHEMBL6830601

CC(C)N(C(=S)C(N)=S)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL6830603 0.78 ALDH1A1 (0.34) ALDH1A1TSHRATMATR
SCHEMBL2703588 0.75 ALDH1A1 (0.40) ALDH1A1TSHRATMATR
SCHEMBL3078862 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3077499 0.69 NOS3 (0.36)
SCHEMBL5324805 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8368875 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28773625 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL15157950 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10729097 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1241923 0.67 ALDH1A1 (0.43) ALDH1A1

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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed