SCHEMBL6691892

SCHEMBL6691892

CCCCCCOC(N)=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.59
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 3/20 0.59
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 2/20 0.45
LPAR2 Q9HBW0 3/20 0.45
LPAR3 Q9UBY5 3/20 0.45
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL28040240 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL14763657 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL9648929 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL3226399 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL12095457 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL11438032 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL9784644 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL2496736 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL6564962 1.00 CA12 (0.59) CA12CA1CA2CA9NAAA
SCHEMBL28259038 1.00 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116898-A1 THIONOCARBAMATES AND PROCESSES TEEBEE HOLDINGS PTY LTD (AU) 2013-08-15 WO claimed
CN-111320562-B Method for producing isothiocyanate 旭化成株式会社 2022-08-16 CN disclosed
CN-113880741-A Method for producing isothiocyanate 旭化成株式会社 2022-01-04 CN disclosed
CN-111320562-A Method for producing isothiocyanate 旭化成株式会社 2020-06-23 CN disclosed
CN-105026367-B Method for producing isothiocyanate 旭化成株式会社 2019-05-21 CN disclosed
CN-101605608-B Dithiocarbamate collectors and their use in mineral processing CYTEC TECH CORP 2014-03-12 CN disclosed
WO-2013116898-A1 THIONOCARBAMATES AND PROCESSES TEEBEE HOLDINGS PTY LTD (AU) 2013-08-15 WO disclosed
CN-101605608-A Novel dithiocarbamate collector and application thereof in mineral separation CYTEC TECH CORP (US) 2009-12-16 CN disclosed
WO-2004080938-A1 SYNTHESIS OF S-ALKYL AND S-ARYL THIOCARBAMATES, ONE-POT TWO-STEP GENERAL SYNTHESIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2004-09-23 WO disclosed
US-6686494-B1 PRECURSOR THIOL REAGENT IS FIRST REACTED WITH TRICHLOROACETYL CHLORIDE TO PRODUCE S-ALKYL OR S-ARYL TRICHLOROACETYL THIOESTER INTERMEDIATE, WHICH IS REACTED WITH AN AMINE TO YIELD THIOCARBAMATE PRODUCT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-02-03 US disclosed
WO-1994026108-A1 SAFENING PYRIDYLOXYPHENOXY PROPIONIC ACID HERBICIDES ZENECA LIMITED (GB) 1994-11-24 WO disclosed
US-4614828-A IMPROVES SOIL PRESISTANCE OF THIOCARBAMATE HERBICIDES STAUFFER CHEMICAL CO. (US) 1986-09-30 US disclosed
US-4285720-A Encapsulation process and capsules produced thereby STAUFFER CHEMICAL COMPANY (US) 1981-08-25 US disclosed
US-4140516-A Encapsulation process employing phase transfer catalysts STAUFFER CHEMICAL COMPANY (US) 1979-02-20 US disclosed
US-3992532-A ALKALI LIGNINS, SOLVENTS, WATER INSOLUBLE TOXICANTS WESTVACO CORPORATION (US) 1976-11-16 US disclosed