SCHEMBL23399276

SCHEMBL23399276

CCCCn1nc(CC)c(O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.41
CNR2 P34972 11/20 0.41
MPO P05164 1/20 0.32
ESR1 P03372 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
SCHEMBL23401445 0.90 CNR1 (0.39) CNR1CNR2ESR1
SCHEMBL23402574 0.90 CNR1 (0.35) CNR1CNR2
SCHEMBL23402720 0.89 CNR1 (0.39) CNR1CNR2ESR1
SCHEMBL23402365 0.84 CNR1 (0.36) CNR1CNR2
SCHEMBL23401321 0.83 CNR1 (0.36) CNR1CNR2
SCHEMBL23402814 0.82
SCHEMBL23401129 0.81 CNR1 (0.40) CNR1CNR2ESR1
SCHEMBL23402667 0.81 CNR1 (0.40) CNR1CNR2ESR1
SCHEMBL23399633 0.77 MPO (0.34) CNR1CNR2MPOESR1
SCHEMBL23398754 0.77 NR1H3 (0.38) CNR1CNR2MPOESR1

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