SCHEMBL28435902

SCHEMBL28435902

CC1CC2OC2CC1CCOC(=O)C1CC2OC2CC1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.37
PTPN1 P18031 2/20 0.37
PPP1CC P36873 2/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11275427 0.87 PPM1B (0.39) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL15554 0.84 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL16882717 0.84 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL14456348 0.84 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL16447619 0.84 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL21919402 0.84 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL14590627 0.84 PPM1B (0.32) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL13935464 0.83 PPM1B (0.50) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL258870 0.83 PPM1B (0.36) PPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2322393 0.80 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111434704-A Monoalkylated diamines for epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2020-07-21 CN claimed
CN-112105671-A Cycloaliphatic amines used in epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2020-12-18 CN disclosed
CN-111434704-A Monoalkylated diamines for epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2020-07-21 CN disclosed