SCHEMBL7602997

SCHEMBL7602997

C=C(C)C(=O)OC(=O)C(=C)C#N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 1/20 0.33
THRB P10828 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
SCHEMBL14692404 0.88 ALDH1A1 (0.56) TSHRALDH1A1TDP1
SCHEMBL3834469 0.84 ALDH1A1 (0.54) TSHRALDH1A1TDP1HSD17B10
SCHEMBL7792828 0.84 ALDH1A1 (0.54) TSHRALDH1A1TDP1HSD17B10
SCHEMBL15963 0.80 ALDH1A1 (0.61) TSHRALDH1A1TDP1HSD17B10THRB
SCHEMBL28170047 0.80 ALDH1A1 (0.61) TSHRALDH1A1TDP1HSD17B10THRB
SCHEMBL28010967 0.78 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL8953021 0.77 ALDH1A1 (0.58) TSHRALDH1A1TDP1HSD17B10THRB
SCHEMBL31589203 0.77 ALDH1A1 (0.58) TSHRALDH1A1TDP1HSD17B10THRB
SCHEMBL31462280 0.77 ALDH1A1 (0.58) TSHRALDH1A1TDP1HSD17B10THRB
SCHEMBL31415277 0.77 ALDH1A1 (0.58) TSHRALDH1A1TDP1HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020092984-A1 Method for purification of as-produced single-wall carbon nanotubes WILLIAM MARSH RICE UNIVERSITY (US) 2002-07-18 US claimed
WO-2022136667-A1 GUIDED BONE REGENERATION MEMBRANE TECHNOLOGICAL UNIVERSITY DUBLIN (IE) 2022-06-30 WO disclosed
US-10240047-B2 Cyanoacrylate composition and coating method using the cyanoacrylate composition THREEBOND CO., LTD. (JP) 2019-03-26 US disclosed
US-20170260398-A1 CYANOACRYLATE COMPOSITION AND COATING METHOD USING THE CYANOACRYLATE COMPOSITION THREEBOND CO., LTD. (JP) 2017-09-14 US disclosed
CN-103238116-B Toner and developer RICOH CO.,LTD. (JP) 2016-05-25 CN disclosed
US-4628112-A Amines, processes for their preparation and their use in compositions which can undergo free radical polymerization BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 US disclosed