SCHEMBL11528790

SCHEMBL11528790

CC(C)N(C(=S)S)C(C)C.CC(C)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3078858 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28773566 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL20819787 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8677340 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28773605 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28369634 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL11563773 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28773592 0.73 TDP1 (0.50) TDP1ALDH1A1
SCHEMBL11528791 0.71 TDP1 (0.36) TDP1ALDH1A1
SCHEMBL11734279 0.69 ALDH1A1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 US disclosed