SCHEMBL29236266

SCHEMBL29236266

C=CCC(C[N+](C)(C)C)OP(=O)(CC)OC(=O)C=C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL27907720 0.82 TSHR (0.38)
SCHEMBL170994 0.75 CYP1A2 (0.32) CYP1A2MEN1CYP2C19RECQLKMT2A
SCHEMBL65990 0.72 MEN1 (0.33) CYP1A2MEN1CYP2C19RECQLKMT2A
SCHEMBL3504549 0.71 TSHR (0.33)
SCHEMBL27760261 0.70 HPGD (0.32)
SCHEMBL30643927 0.70 ADRA1A (0.36) CYP2C19
SCHEMBL27520150 0.69 TSHR (0.38)
SCHEMBL28160412 0.68 TSHR (0.37)
Bromide SCHEMBL29102419 0.65 MEN1 (0.40) CYP1A2MEN1CYP2C19RECQLKMT2A
Iodide SCHEMBL29102413 0.65 MEN1 (0.40) CYP1A2MEN1CYP2C19RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986441-A Oil displacement agent for improving recovery ratio of low-permeability sensitive heavy oil reservoir and preparation method thereof 中国石油化工股份有限公司 2024-05-07 CN claimed
CN-117986441-A Oil displacement agent for improving recovery ratio of low-permeability sensitive heavy oil reservoir and preparation method thereof 中国石油化工股份有限公司 2024-05-07 CN disclosed