SCHEMBL1645580

SCHEMBL1645580

Cc1c(CC2CO2)c(C)c(C(=O)O)c(C(=O)O)c1CC1CO1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3068519 0.91 ALDH1A1 (0.31)
SCHEMBL1643688 0.91 ALDH1A1 (0.31)
SCHEMBL1646383 0.91 ALDH1A1 (0.31)
SCHEMBL3069564 0.89 ALDH1A1 (0.30)
SCHEMBL960757 0.86
SCHEMBL27915392 0.84 PKM (0.31)
SCHEMBL795247 0.80 TP53 (0.31)
SCHEMBL27142378 0.80 TP53 (0.31)
SCHEMBL29031707 0.79 TP53 (0.33)
SCHEMBL3074823 0.79 NOTUM (0.33)

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
EP-2256163-B1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES (JP) 2018-11-14 EP disclosed
US-20160159993-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2016-06-09 US disclosed
US-20110097568-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC 2011-04-28 US disclosed
EP-2256163-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME Toray Industries, Inc. (JP) 2010-12-01 EP disclosed