SCHEMBL3074878

SCHEMBL3074878

NC(O)=S.OC(=S)NN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA12 O43570 5/20 0.32
CA9 Q16790 5/20 0.32
F2 P00734 1/20 0.32
MGLL Q99685 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PIN1 Q13526 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH2 P05091 1/20 0.31
FBP1 P09467 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LIPE Q05469 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6515029 0.98 HTT (0.37) HTTCA1CA2CA12CA9
SCHEMBL3066005 0.98 HTT (0.35) HTTCA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL28405557 0.95 HTT (0.34) HTTCA1CA2CA12CA9
SCHEMBL7758216 0.95 HTT (0.34) HTTCA1CA2CA12CA9
SCHEMBL3071699 0.93 HTT (0.42) HTTCA1CA2CA12CA9
SCHEMBL10897991 0.93 HTT (0.42) HTTCA1CA2CA12CA9
SCHEMBL28146447 0.90 HTT (0.41) HTTCA1CA2CA12CA9
SCHEMBL3074808 0.90
Piperidine SCHEMBL28394461 0.88 ALDH1A1 (0.33) HTTCA2ALDH1A1
Ammonia Solution, Strong SCHEMBL4747013 0.87 ALDH1A1 (0.38) HTTCA1CA2CA12CA9

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
WO-2008092945-A1 ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-7291217-B2 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON (US) 2007-11-06 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003044031-A1 TECHNETIUM OR RHENIUM COMPLEXES, RADIOPHARMACEUTICAL PRODUCTS COMPRISING THEM SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 WO disclosed
EP-1288236-A2 Production process for copolymers with controlled architecture with the aid of functional radical initiators in a living radical polymerisation Atofina (FR) 2003-03-05 EP disclosed
EP-1277771-A2 Living polymerisation process for the production of sequenced polymers using functional radical initiators Atofina (FR) 2003-01-22 EP disclosed
EP-0911350-A1 Fabrication process for copolymers of controlled architecture via the use of functional radical initiators in a living radical polymerisation, and initiator compositions and corresponding copolymers ELF ATOCHEM S.A. (FR) 1999-04-28 EP disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed
US-4093802-A ANTIBIOTICS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-06-06 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed