SCHEMBL5147063

SCHEMBL5147063

CCCCC(CC)COc1cccc(S)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 5/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 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
SCHEMBL17138127 0.89 CYP3A4 (0.49) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL18632545 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5147059 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL12565554 0.84 ALOX5 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL30718028 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL30718027 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5145686 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL5145683 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNATSHR
SCHEMBL15881143 0.82 TSHR (0.59) ALDH1A1CYP3A4CA2LMNATSHR
Ethylene SCHEMBL27903282 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-6787502-B2 INCLUSION OF A STRONGLY BASIC BIS-GUANIDINE COMPOUND THAT IS SUPERIOR IN DIFFUSION RESISTANCE; SPECIFIED DIAZONIUM SALT COMPOUND AND A PYRROLO(1,2-A)PYRIMIDINE COUPLER IN RECORDING LAYER FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-20040048185-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD 2004-03-11 US disclosed
US-20030158038-A1 Guanidine compound and heat sensitive recording material FUJI PHOTO FILM CO., LTD. 2003-08-21 US disclosed
US-20020065194-A1 Guanidine compound and heat sensitive recording material FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed
US-6348529-B1 THERMOSENSITIVE RECORDING WITH TWO ETHERS AND TWO GUANIDINE GROUPS FUJI PHOTO FILM CO., LTD. (JP) 2002-02-19 US disclosed
US-6329116-B1 CYAN COUPLER AND A DIAZONIUM SALT COMPOUND, EXCELLENT SHELF LIFE, IMAGE LIGHT-RESISTANCE, IMAGE FIXING, EXCELLENT HUE AND COLOR DENSITY, PREFERABLY MICROENCAPSULATED IN POLYURETHANE OR POLYUREA FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 US disclosed
US-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 US disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 US disclosed