SCHEMBL4889664

SCHEMBL4889664

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL22719855 0.84 TSHR (0.46) TSHRALDH1A1
SCHEMBL4891441 0.83 ALDH1A1 (0.56) TSHRALDH1A1
SCHEMBL28043418 0.82 TSHR (0.44) TSHRALDH1A1HPGD
SCHEMBL3419173 0.80 TSHR (0.49) TSHRALDH1A1HPGDATM
SCHEMBL28043462 0.77 TSHR (0.41) TSHRALDH1A1
Enbucrilate SCHEMBL24796 0.76 TSHR (0.66) TSHRALDH1A1HPGDATM
SCHEMBL28043219 0.76 TSHR (0.41) TSHRALDH1A1HPGD
SCHEMBL775782 0.74 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL1469628 0.74 ALDH1A1 (0.41) TSHRALDH1A1HPGDATM
SCHEMBL11150709 0.73 ALDH1A1 (0.55) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874459-A Flexible photocurable cyanoacrylate compositions 汉高知识产权控股有限责任公司 2021-12-31 CN disclosed
US-11013824-B2 Adhesive for hard tissue bonding, adhesive kit for hard tissue bonding, and bone cement CHIBA INSTITUTE OF TECHNOLOGY (JP) 2021-05-25 US disclosed
US-20080293872-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-27 US disclosed
US-20080287574-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2008-11-20 US disclosed