SCHEMBL9626183

SCHEMBL9626183

CCCCCCCCOC(=O)C1=C(Br)C(=O)C(C(=O)OCCCCCCCC)=C(Br)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR1 P03372 3/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
NAAA Q02083 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
STS P08842 4/20 0.44

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
SCHEMBL9658210 0.85 ALDH1A1 (0.58) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9659257 0.85 ALDH1A1 (0.58) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9626460 0.77 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9657058 0.77 ALDH1A1 (0.49) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL10897742 0.77 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9640841 0.77 ALDH1A1 (0.56) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9658899 0.76 TSHR (0.53) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11000432 0.75 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11005721 0.75 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11001210 0.75 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 EP disclosed
US-5130291-A HEAT-SENSITIVE RECORDING PAPER OSAKA SEALING PRINTING CO., LTD. (JP) 1992-07-14 US disclosed
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4931420-A COLOR CHANGING LABELS, CHIPS FOR STORED FOODS, MEDICINES, BLOOD; RUPTURABLE CAPSULES CONTAINING DYE AND DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-05 US disclosed
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 EP disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed
EP-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US disclosed
EP-0156912-A1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-10-09 EP disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 EP disclosed
US-4398753-A METHINE-TYPE DYES AND QUINONE DERIVATIVE IN REDOX SYSTEM FOR CARBON-FREE REPRODUCTION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1983-08-16 US disclosed
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP disclosed