SCHEMBL701336

SCHEMBL701336

CCCOC(N)=S.CCCOC(N)=S.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
KDR P35968 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2237577 0.97 HPGD (0.38) HPGDCA12CA1CA2CA9
SCHEMBL2746578 0.97
SCHEMBL3190229 0.94 HPGD (0.36) HPGDCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL11088219 0.94
SCHEMBL2126842 0.94 HPGD (0.36) HPGDCA12CA1CA2CA9
SCHEMBL6298110 0.94 HPGD (0.36) HPGDCA12CA1CA2CA9
Propane SCHEMBL28432693 0.94 HPGD (0.36) HPGDCA12CA1CA2CA9
SCHEMBL27690894 0.92 HPGD (0.39) HPGDCA12CA1CA2CA9
SCHEMBL10767942 0.92 HPGD (0.39) HPGDCA12CA1CA2CA9
SCHEMBL6564983 0.90 HPGD (0.38) HPGDCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428211-B Tyre for vehicle wheels 株式会社普利司通 2020-04-10 CN disclosed
CN-107428212-B Tyre for vehicle wheels 株式会社普利司通 2020-03-31 CN disclosed
US-8123982-B2 Dithiocarbamates provide improvement over tolyltriazole in inhibiting yellow metal corrosion AKZO NOBEL N.V. (NL) 2012-02-28 US disclosed
US-20050211957-A1 Sulfur based corrosion inhibitors AKZO NOBEL N.V. (NL) 2005-09-29 US disclosed
EP-1580301-A1 Sulfur based corrosion inhibitors National Starch and Chemical Investment Holding Corporation (US) 2005-09-28 EP disclosed
US-6866797-B1 Corrosion inhibitors and methods of use BJ SERVICES COMPANY (US) 2005-03-15 US disclosed
WO-2003091170-A1 MICROBIAL CONSORTIUM FOR THE BIODEGRADATION OF DITHIOCARBAMATES NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING COPORATION (US) 2003-11-06 WO disclosed
US-20030201224-A1 Microbial consortium for the biodegradation of dithiocarbamates NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2003-10-30 US disclosed