SCHEMBL28297535

SCHEMBL28297535

CCN(CC)CCC=C(C)C(=O)OCC=C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL37961 0.85 ALDH1A1 (0.36) CHRM1CYP2D6LMNAALDH1A1KDM4E
SCHEMBL37962 0.85 ALDH1A1 (0.36) CHRM1CYP2D6LMNAALDH1A1KDM4E
SCHEMBL28816537 0.84 CYP2D6 (0.31) CHRM1CYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL1396447 0.84 ALDH1A1 (0.35) CHRM1LMNAALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL1396443 0.84 ALDH1A1 (0.35) CHRM1LMNAALDH1A1KDM4ECYP3A4
Acetic Acid SCHEMBL9812831 0.84 ALDH1A1 (0.35) CHRM1CYP2D6LMNAALDH1A1KDM4E
SCHEMBL28646355 0.82 CYP2D6 (0.46) CHRM1CYP2D6CYP2C19LMNAALDH1A1
SCHEMBL25245408 0.80 EP300 (0.36) CYP2D6CYP2C19ALDH1A1
SCHEMBL15233994 0.80 ALDH1A1 (0.33) CHRM1LMNAALDH1A1KDM4E
SCHEMBL2515654 0.80 CYP2D6 (0.35) CHRM1CYP2D6CYP2C19LMNAAPOBEC3A

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-110501434-B Method for detecting residual solvent, monomer and initiator decomposition product in tertiary amino-containing methacrylate copolymer 广州茂丰药业有限公司 2023-02-07 CN disclosed
CN-109851696-B Method for reducing residual monomers and solvents of tertiary amino (methyl) acrylate copolymer 英德茂丰药业有限公司 2021-07-02 CN disclosed
CN-110501434-A The detection method of residual solvent, monomer and decomposition of initiator product in a kind of tertiary-amino-containing methacrylate copolymer GUANGZHOU MAOFENG PHARMA CO LTD 2019-11-26 CN disclosed
CN-109851696-A A method of reducing tertiary-amino-containing (methyl) acrylate copolymer residual monomer and solvent 英德茂丰药业有限公司 2019-06-07 CN disclosed