SCHEMBL5744594

SCHEMBL5744594

[SeH]Cc1ccccc1C[SeH]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.39
HSPA5 P11021 1/20 0.38
CYP2C9 P11712 1/20 0.36
PNMT P11086 1/20 0.35
IDO1 P14902 1/20 0.35
TAAR1 Q96RJ0 6/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL5351165 0.78
SCHEMBL5352914 0.76 CYP1A2 (0.61) CYP1A2CYP2C19CYP2D6CYP2C9TSHR
SCHEMBL28696504 0.73 IDO1 (0.57) IDO1TAAR1
SCHEMBL443168 0.67
SCHEMBL3088082 0.65
SCHEMBL29488434 0.65 ADRA2B (0.44) TAAR1
SCHEMBL142479 0.65 ADRA2B (0.44) TAAR1
SCHEMBL9839840 0.62 ADRA2B (0.43) TAAR1
Benzene SCHEMBL11786397 0.62 KDM4E (0.44) TAAR1
SCHEMBL25425763 0.61 GABRA1 (0.58) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896972-B1 METHOD FOR PRODUCING A SELENIZED TRANSPARENT OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2006-11-29 EP disclosed
US-20060189774-A1 Modifiable polyunsaturated polymers and processes for their preparation AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2006-08-24 US disclosed
US-6664364-B2 Selenium-containing transparent optical material MITSUI CHEMICALS, INC. (JP) 2003-12-16 US disclosed
US-20030166830-A1 Selenium-containing transparent optical material OKAZAKI KOJU (JP) 2003-09-04 US disclosed
US-6482918-B2 HIGH REFRACTIVE INDEX, LOW DISPERSION AND EXCELLENT OPTICAL PROPERTY, AND IS USED FOR A GLASSES LENS, CAMERA LENS, PRISM, SUBSTRATE FOR AN INFORMATION RECORDING MEDIUM, PICK UP LENS, OPTICAL FIBER, OPTICAL FILTER MITSUI CHEMICALS, INC. (JP) 2002-11-19 US disclosed
US-20020120097-A1 Selenium-containing transparent optical material OKAZAKI KOJU (JP) 2002-08-29 US disclosed
US-6303747-B1 SELENIUM-CONTAINING POLYTHIOL HAVING 3 OR MORE FUNCTIONAL GROUPS; MONOMERS FOR PREPARING TRANSPARENT OPTICAL MATERIAL WHICH HAS HIGH REFRACTIVE INDEX, LOW DISPERSION AND EXCELLENT OPTICAL PROPERTIES MITSUI CHEMICALS, INC. (JP) 2001-10-16 US disclosed
US-6124424-A A TRANSPARENT OPTICAL LENS IS OBTAINED BY CAST-POLYMERIZING AT LEAST ONE REACTIVE MONOMER OR OLIGOMER HAVING AT LEAST ONE SELENIUM ATOM IN ITS MOLECULE; IMPROVED REFRACTIVE INDEX MITSUI CHEMICALS, INC. (JP) 2000-09-26 US disclosed
EP-0896972-A1 SELENIZED TRANSPARENT OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 1999-02-17 EP disclosed