SCHEMBL6689310

SCHEMBL6689310

O=C(O)c1cc(CC2CO2)c(C(=O)O)c(CC2CO2)c1CC1CO1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.31
CXCL12 P48061 1/20 0.31
ME2 P23368 1/20 0.31
ME1 P48163 1/20 0.31
ME3 Q16798 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
SCHEMBL7727731 0.88 KDM4E (0.32)
SCHEMBL1376717 0.87 HMGB1 (0.33) HMGB1CXCL12
SCHEMBL11781831 0.87 ALDH1A1 (0.33)
SCHEMBL3069660 0.85 HMGB1 (0.36) HMGB1CXCL12ME2ME1ME3
SCHEMBL11781828 0.83 KMT2A (0.35)
SCHEMBL3077250 0.82 PKM (0.35)
SCHEMBL3076528 0.82 HMGB1 (0.33) HMGB1CXCL12ME2ME1ME3
SCHEMBL157782 0.81 CYP1A2 (0.31)
SCHEMBL1007226 0.81 LDHA (0.33) HMGB1CXCL12
SCHEMBL1644098 0.81

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-107108482-B Chemical blowing agent and thermally expandable thermoplastic composition SIKA技术股份公司 2020-07-14 CN disclosed
WO-2004069896-A1 PROCESS FOR PRODUCING NEOPENTYL-GLYCOL BASED POLYESTERS SURFACE SPECIALTIES, S.A. (BE) 2004-08-19 WO disclosed
CN-1159625-C Photosensitive thermosetting composition 联致科技股份有限公司 2004-07-28 CN disclosed
US-6555592-B2 Epoxidized novolak phenolic resin modified with an unsaturated monobasic carboxylic acid, a dibasic acid, and an acid anhydride, a photopolymerizable monomer, photoinitiator and an epoxy novolak resin; use as solder mask ADVANCE MATERIALS CORPORATION (TW) 2003-04-29 US disclosed