SCHEMBL29263172

SCHEMBL29263172

CCC1(C(=O)O)COC(C(=O)O)(C(C)(C)CC(=O)O)OC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL15708421 0.72 KCNA4 (0.32) CYP2C19HIF1A
SCHEMBL686506 0.72 HMGCR (0.31) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL353800 0.69
SCHEMBL5599762 0.66 CYP2C19 (0.31) CYP2C19
SCHEMBL27036434 0.66 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL3789029 0.63 ATM (0.32)
SCHEMBL30716833 0.62 CYP2C19 (0.42) CHRM1ADRA1ACYP2C19
SCHEMBL18192041 0.61 FFAR3 (0.31)
Hydrochloric Acid SCHEMBL11173735 0.60
SCHEMBL9619318 0.60 KAT2A (0.30)

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-118126305-B Thermoplastic resin and preparation method and application thereof 拓烯科技(衢州)有限公司 2024-07-23 CN disclosed
CN-118126305-A Thermoplastic resin and preparation method and application thereof 拓烯科技(衢州)有限公司 2024-06-04 CN disclosed