SCHEMBL28095142

SCHEMBL28095142

CC1CCCC(N=C=O)C1.CN=C=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL896571 0.94 ALDH1A1 (0.54) ALDH1A1
Methane SCHEMBL10579566 0.92 ALDH1A1 (0.52) ALDH1A1
SCHEMBL6654452 0.89 ALDH1A1 (0.48) ALDH1A1
SCHEMBL24469385 0.79 ALDH1A1 (0.70) ALDH1A1
SCHEMBL2584848 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL33061 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL8619404 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL20782935 0.78 ALDH1A1 (0.60) ALDH1A1
SCHEMBL15010774 0.77 ALDH1A1 (0.64) ALDH1A1
SCHEMBL8169016 0.76 ALDH1A1 (0.40) ALDH1A1

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-110229488-A Thermoplastic composite product and its preparation method and application 科思创德国股份有限公司 2019-09-13 CN disclosed
CN-105934437-B Silane-modified formamide 科思创德国股份有限公司 2019-03-01 CN disclosed
CN-107636096-A Polyurethane coating composition 科思创德国股份有限公司 2018-01-26 CN disclosed
CN-105934437-A Silane-modified formamides 科思创德国股份有限公司 2016-09-07 CN disclosed