SCHEMBL7218047

SCHEMBL7218047

C=C(C)C(=O)OCCOc1c(Br)cc(CCC)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.51
THRA P10827 11/20 0.51
TSHR P16473 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7708379 0.90 THRB (0.60) THRBTHRATSHRHRH3POLB
SCHEMBL7711136 0.90 THRB (0.60) THRBTHRATSHRHRH3POLB
SCHEMBL11168121 0.89 THRB (0.44) THRBTHRATSHRHRH3POLB
SCHEMBL3413337 0.85 THRB (0.45) THRBTHRATSHRHRH3POLB
SCHEMBL11175137 0.83 THRB (0.42) THRBTHRATSHRHRH3POLB
SCHEMBL9579758 0.82 THRB (0.41) THRBTHRATSHRHRH3POLB
SCHEMBL5704237 0.82 THRB (0.49) THRBTHRATSHRPOLBAPEX1
SCHEMBL11169252 0.82 THRB (0.47) THRBTHRATSHRHRH3POLB
SCHEMBL10630301 0.81 THRB (0.42) THRBTHRATSHRHRH3POLB
SCHEMBL9848685 0.81 THRB (0.51) THRBTHRATSHRHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5132667-A None JP disclosed
CN-110869355-B Benzopyran compound, curable composition containing the compound, and optical article containing cured product formed from the curable composition 株式会社德山 2023-11-14 CN disclosed
CN-112424260-B Photochromic compound and curable composition containing the same 株式会社德山 2023-10-13 CN disclosed
CN-113614622-B Spectacle lens and spectacles 豪雅镜片泰国有限公司 2023-09-22 CN disclosed
CN-112105676-B Low water content polyrotaxane monomer and curable composition containing the same 株式会社德山 2023-08-29 CN disclosed
CN-113993905-B Method for setting use condition of polymerization catalyst, method for setting polymerization condition, and method for producing optical material 三井化学株式会社 2023-03-31 CN disclosed
CN-115768746-A Compound for optical material, curable composition, cured product, and optical article 株式会社德山 2023-03-07 CN disclosed
CN-111868099-B Method for setting polymerization conditions and method for producing optical material 三井化学株式会社 2022-12-16 CN disclosed
CN-111936524-B Photochromic curable composition 株式会社德山 2022-09-23 CN disclosed
CN-110799573-B Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2022-06-03 CN disclosed
WO-2019187176-A1 METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL 三井化学株式会社 2019-10-03 WO disclosed
WO-2019182085-A1 PHOTOCHROMIC CURABLE COMPOSITION 株式会社トクヤマ 2019-09-26 WO disclosed
US-RE46357-E1 Photochromic film, photochromic lens comprising the same, and method of manufacturing photochromic lens HOYA CORPORATION (JP) 2017-04-04 US disclosed
CN-102471303-B Chromene compounds TOKUYAMA CORP. (JP) 2016-01-20 CN disclosed
CN-105008419-A Photochromic curable composition, cured product thereof, and laminate containing same TOKUYAMA CORP 2015-10-28 CN disclosed
EP-1359170-A1 PHOTOCHROMIC CURABLE COMPOSITION AND CURED ARTICLES THEREOF TOKUYAMA CORPORATION (JP) 2003-11-05 EP disclosed
JP-H05132667-A PHOTOCHROMIC MOLDED PRODUCT TOKUYAMA SODA CO LTD 1993-05-28 JP disclosed
EP-0449669-A1 Photochromic compound, composition and use thereof TOKUYAMA CORPORATION (JP) 1991-10-02 EP disclosed
EP-0422620-A2 Screen for projection SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-17 EP disclosed
US-4487904-A Urethanized acrylic resin material for plastic lens and lens composed thereof TORAY INDUSTRIES, INC. (JP) 1984-12-11 US disclosed