SCHEMBL23398779

SCHEMBL23398779

CC(C)Cc1nn(C(C)C)c(C(C)C)c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL23399685 0.83 POLB (0.30)
SCHEMBL23401567 0.80
SCHEMBL23399924 0.79 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23401515 0.79 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23403464 0.79 KDM4E (0.38) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23402717 0.79 FFAR1 (0.32)
SCHEMBL23403516 0.76 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23399246 0.76 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23402565 0.76 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23403230 0.76 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10

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
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed