SCHEMBL10344679

SCHEMBL10344679

N#CCCOP(O)OCCC#N

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.31
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL20386986 0.85
SCHEMBL28471281 0.85
SCHEMBL11190231 0.84 TSHR (0.36) ALDH1A1TDP1TSHR
SCHEMBL1500282 0.83
SCHEMBL16938603 0.82
SCHEMBL28366264 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9113963 0.79
SCHEMBL13497373 0.79
SCHEMBL9436380 0.79
SCHEMBL8608523 0.79

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
CN-119569609-B Method and device for recycling 3-hydroxypropionitrile in wastewater 山东海科创新研究院有限公司 2025-05-13 CN disclosed
CN-119569609-A Method and device for recycling 3-hydroxypropionitrile in wastewater 山东海科创新研究院有限公司 2025-03-07 CN disclosed
CN-115043874-B Preparation method and application of tri (2-cyanoethyl) phosphite ester 山东海科创新研究院有限公司 2024-11-08 CN disclosed
EP-0354904-A1 INOSITOL PHOSPHATE ANALOGUES 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-02-21 EP disclosed
WO-1988007047-A1 INOSITOL PHOSPHATE ANALOGUES RESEARCH CORPORATION LIMITED (GB) 1988-09-22 WO disclosed
US-4025331-A HERBICIDES, PLANT GROWTH REGULATORS SANDOZ LTD. (CH) 1977-05-24 US disclosed