SCHEMBL21385092

SCHEMBL21385092

C=C(C)C(=O)OCCSCCSCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL1695699 0.96 THRB (0.55) THRBTSHRALDH1A1POLBTDP1
SCHEMBL28121972 0.93 TSHR (0.51) THRBTSHRALDH1A1POLBTDP1
SCHEMBL671674 0.92 THRB (0.53) THRBTSHRALDH1A1POLBTDP1
SCHEMBL673043 0.92 THRB (0.53) THRBTSHRALDH1A1POLBTDP1
SCHEMBL670913 0.92 THRB (0.53) THRBTSHRALDH1A1POLBTDP1
SCHEMBL212008 0.90 THRB (0.55) THRBTSHRALDH1A1POLBTDP1
SCHEMBL10150598 0.87 TSHR (0.56) THRBTSHRALDH1A1POLBTDP1
SCHEMBL14509191 0.86 THRB (0.50) THRBTSHRALDH1A1POLBTDP1
SCHEMBL14509305 0.86 THRB (0.46) THRBTSHRALDH1A1POLBTDP1
SCHEMBL14509135 0.86 THRB (0.46) THRBTSHRALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-115066472-A Primer composition for optical article and laminate 株式会社德山 2022-09-16 CN disclosed
CN-114846047-A Moisture-curable polyurethane composition and laminate 株式会社德山 2022-08-02 CN disclosed
CN-114829539-A Photochromic curable composition and photochromic optical article 株式会社德山 2022-07-29 CN disclosed
CN-110799573-B Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2022-06-03 CN disclosed
CN-113166310-B Curable composition for optical material and optical material 株式会社德山 2022-05-31 CN disclosed
CN-114051497-A Chromene compound and photochromic optical article 株式会社德山 2022-02-15 CN disclosed
WO-2021241596-A1 COMPOUND FOR OPTICAL MATERIAL, CURABLE COMPOSITION, CURED BODY, AND OPTICAL ARTICLE 株式会社トクヤマ 2021-12-02 WO disclosed
CN-109563219-B Photochromic curable composition, use thereof, and polyrotaxane monomer 株式会社德山 2021-11-19 CN disclosed
CN-113227158-A Curable composition for optical material and optical material 株式会社德山 2021-08-06 CN disclosed
CN-113166310-A Curable composition for optical material and optical material 株式会社德山 2021-07-23 CN disclosed
CN-112424260-A Photochromic compound and curable composition containing same 株式会社德山 2021-02-26 CN disclosed
CN-112105676-A Low water content polyrotaxane monomer and curable composition containing the same 株式会社德山 2020-12-18 CN disclosed
CN-111936524-A Photochromic curable composition 株式会社德山 2020-11-13 CN disclosed
CN-110869355-A Benzopyran compound, curable composition containing benzopyran compound, and optical article containing cured product formed from curable composition 株式会社德山 2020-03-06 CN disclosed
CN-110799573-A Photochromic polyrotaxane compound, and curable composition comprising same 株式会社德山 2020-02-14 CN disclosed
WO-2020032056-A1 CURABLE COMPOSITION CONTAINING POLYPSEUDOROTAXANE MONOMER 株式会社トクヤマ 2020-02-13 WO disclosed
WO-2020017610-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC COMPOUND 株式会社トクヤマ 2020-01-23 WO disclosed
WO-2019182085-A1 PHOTOCHROMIC CURABLE COMPOSITION 株式会社トクヤマ 2019-09-26 WO disclosed