SCHEMBL9870205

SCHEMBL9870205

CCCCCOC(N)=S.CCCCCOC(N)=S

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA9 Q16790 3/20 0.60
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.42
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCAR2 Q8TDS4 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28672 1.00
SCHEMBL28350305 0.98 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL6691892 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
Dodecane SCHEMBL28866604 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL8503286 0.98 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL28414740 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL12095457 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL701004 0.98 CA12 (0.58) CA12CA1CA2CA9NAAA
SCHEMBL9784644 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL28359055 0.98 CA12 (0.59) CA12CA1CA2CA9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731769-A Anti-hydrocarbon plug valve sealing grease and preparation method thereof 无锡中石油润滑脂有限责任公司 2023-09-12 CN claimed
CN-112851283-A Cementing material capable of solidifying and stabilizing heavy metal ions in tailings 中钢集团马鞍山矿山研究总院股份有限公司 2021-05-28 CN claimed
CN-111004664-A All-season long-acting self-sealing composite solid lubricant for gear box 西安奥奈特固体润滑工程学研究有限公司 2020-04-14 CN claimed
CN-115772070-B Polyether compound, preparation method thereof and air compressor oil prepared based on polyether compound 亚培烯科技(杭州)有限公司 2024-01-02 CN disclosed
CN-116731769-A Anti-hydrocarbon plug valve sealing grease and preparation method thereof 无锡中石油润滑脂有限责任公司 2023-09-12 CN disclosed
CN-116157494-A Phosphorus-free oil-soluble molybdenum complexes as high temperature scale inhibitors 埃科莱布美国股份有限公司 2023-05-23 CN disclosed
CN-116057155-A Phosphorus-free oil-soluble molybdenum complex for high-temperature naphthenic acid corrosion inhibition 埃科莱布美国股份有限公司 2023-05-02 CN disclosed
CN-106659765-B Use of dianhydrogalactitol and analogs or derivatives thereof for treating non-small cell lung cancer and ovarian cancer 德玛医药 2021-08-13 CN disclosed
CN-112851282-A Gelling agent for solidifying heavy metal ions in tailings and application method thereof 中钢集团马鞍山矿山研究总院股份有限公司 2021-05-28 CN disclosed
CN-112239692-A Medium-speed engine oil composition meeting CF quality grade and application thereof 中国石油化工股份有限公司 2021-01-19 CN disclosed
CN-111004664-A All-season long-acting self-sealing composite solid lubricant for gear box 西安奥奈特固体润滑工程学研究有限公司 2020-04-14 CN disclosed
US-5055211-A Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-08 US disclosed