SCHEMBL195217

SCHEMBL195217

O=C1OC(=O)c2c(Br)c(Br)c(Cl)c(Br)c21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
ALDH1A1 P00352 1/20 0.52
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL30361965 0.90 TSHR (0.65) TSHRALDH1A1
SCHEMBL9822841 0.90 TSHR (0.65) TSHRALDH1A1
SCHEMBL10397991 0.88 TSHR (0.64) TSHRALDH1A1
SCHEMBL195216 0.88 TSHR (0.71) TSHRALDH1A1CA1CA2CA4
SCHEMBL9672390 0.84 TSHR (0.65) TSHRALDH1A1
SCHEMBL10397261 0.83 TSHR (0.71) TSHRALDH1A1
SCHEMBL29376586 0.81 TSHR (1.00) TSHRALDH1A1CA1CA2CA4
SCHEMBL194752 0.81 TSHR (1.00) TSHRALDH1A1CA1CA2CA4
SCHEMBL18098042 0.78 TSHR (0.82) TSHRALDH1A1CA1CA2CA4
Ammonia Solution, Strong SCHEMBL7773774 0.78 TSHR (0.94) TSHRALDH1A1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717277-B1 Pixel-forming colorant compositions and their use DAINICHISEIKA COLOR CHEM (JP) 2012-01-04 EP disclosed
US-7611572-B2 Pixel-forming colorant compositions and their use DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2009-11-03 US disclosed
EP-1717277-A2 Pixel-forming colorant compositions and their use Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2006-11-02 EP disclosed
US-20060213394-A1 PIXEL-FORMING COLORANT COMPOSITIONS AND THEIR USE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-09-28 US disclosed
EP-0242169-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1992-01-02 EP disclosed
EP-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed
US-4835291-A Divinyl compounds and chromogenic recording-material prepared by using thereof YAMADA CHEMICAL CO., LTD. (JP) 1989-05-30 US disclosed
US-4808567-A PHOTOSTABILITY, WATERPROOFING YAMADA CHEMICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0188377-B1 NEW PHTHALIDE DERIVATIVES KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1988-11-09 EP disclosed
US-4730057-A Phthalide derivatives useful as colorless chromogenic material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-03-08 US disclosed
EP-0242169-A2 Divinyl compounds and chromogenic recording material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed