SCHEMBL11458459

SCHEMBL11458459

CCCCOC(=S)[S-].CCCCOC(=S)[S-].[Co+2]

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.82
CA1 P00915 12/20 0.82
CA2 P00918 12/20 0.82
CA9 Q16790 12/20 0.82
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL673637 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL11135995 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL153267 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
Potassium Ion SCHEMBL229878 0.95
SCHEMBL2579283 0.95
SCHEMBL11436646 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL672341 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL8506272 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL672928 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1
SCHEMBL31612418 0.95 CA12 (0.82) CA12CA1CA2CA9ALDH1A1

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
CN-112048111-B Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2022-12-02 CN disclosed
CN-112048111-A Process for preparing blends of cis-1, 4-polybutadiene and syndiotactic 1, 2-polybutadiene 株式会社普利司通 2020-12-08 CN disclosed
US-4182813-A CATALYST COMPRISING A COBALT COMPOUND, ORGANOALUMINUM COMPOUND, AND AN ORGANIC PHOSPHORUS COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1980-01-08 US disclosed
US-4176219-A COORDINATION CATALYST OF A COBALT AND PHOSPHINE COMPOUND, A TRIALKYLALUMINUM, WATER AND A HYDROCARBYL HALIDE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-11-27 US disclosed