SCHEMBL9778607

SCHEMBL9778607

CCOCCOC(=S)S.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9778776 0.98
SCHEMBL9307206 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9778619 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL2141176 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9306633 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9806598 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9806559 0.93 ALDH1A1 (0.46) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9778768 0.93 ALDH1A1 (0.46) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9306531 0.79 HSD17B10 (0.40) ALDH1A1TSHRTHRBCYP2C9HPGD
SCHEMBL9806530 0.79 HSD17B10 (0.40) ALDH1A1TSHRTHRBCYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068375-A Substituted noble metal xanthates EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-11-26 US disclosed
US-5035815-A Synergistic, antiwear EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-30 US disclosed
US-5034142-A Wear resistant compositions for engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-23 US disclosed
US-4078079-A Thiocyano-xanthate miticides STAUFFER CHEMICAL COMPANY (US) 1978-03-07 US disclosed
US-3965137-A BIOCIDE, MITICIDE STAUFFER CHEMICAL COMPANY (US) 1976-06-22 US disclosed