SCHEMBL25260899

SCHEMBL25260899

CC#Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(OCOCC)c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL25857918 0.92
SCHEMBL25859550 0.88
SCHEMBL30517789 0.87
SCHEMBL28934476 0.87 TRPV4 (0.41) LPLLIPG
SCHEMBL30101076 0.87 TRPV4 (0.41) LPLLIPG
SCHEMBL25300289 0.86 CHRNB2 (0.33)
SCHEMBL25859212 0.86 LPL (0.33) EGFRLPLLIPG
Cyclopentane SCHEMBL25256366 0.85
SCHEMBL28934910 0.81 UCHL1 (0.39) EGFRLPLLIPG
SCHEMBL28934341 0.80 LPL (0.30) LPLLIPG

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
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed