SCHEMBL23399679

SCHEMBL23399679

CCCc1nn(CC(C)C)c(C(C)C)c1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL23402112 0.90 FFAR1 (0.33)
SCHEMBL27147848 0.87 HTR2A (0.30) HTR2AHTR2C
SCHEMBL23402585 0.86 PTGDR2 (0.33) PTGDR2HTR2AHTR2C
SCHEMBL23398721 0.86
SCHEMBL23402143 0.85 PTGDR2 (0.33) PTGDR2
SCHEMBL23402565 0.83 KDM4E (0.33)
SCHEMBL23403254 0.82 PTGDR2 (0.32) PTGDR2
SCHEMBL23401491 0.81 APAF1 (0.33) HTR2AHTR2C
SCHEMBL23400273 0.81 HTR2A (0.32) HTR2AHTR2C
SCHEMBL23403328 0.80 HTR2A (0.32) HTR2AHTR2C

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-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 EP disclosed
CN-117222675-A polymerization inhibitor 巴斯夫欧洲公司 2023-12-12 CN 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