SCHEMBL12721877

SCHEMBL12721877

CCCCC(CC)CN1C(=O)C(C#N)=C(C(F)(F)F)/C(=C/C=C2/N3CCCc4cccc(c43)C2(C)C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL12721889 0.90 ALDH1A1 (0.35) USP2ALDH1A1
SCHEMBL12721890 0.83 ALDH1A1 (0.36) USP2ALDH1A1
SCHEMBL12721459 0.82 ALDH1A1 (0.36) USP2ALDH1A1
SCHEMBL12721881 0.82 ALDH1A1 (0.36) USP2ALDH1A1
SCHEMBL12217062 0.81 MEN1 (0.44) USP2ALDH1A1
SCHEMBL1585140 0.79 ALDH1A1 (0.37) USP2ALDH1A1
SCHEMBL13556353 0.79 ALDH1A1 (0.37) USP2ALDH1A1
SCHEMBL12721457 0.79 ALDH1A1 (0.37) USP2ALDH1A1
SCHEMBL1585141 0.79 ALDH1A1 (0.37) USP2ALDH1A1
SCHEMBL13556354 0.78 ALDH1A1 (0.34) USP2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
US-9368729-B2 Mixtures for producing photoactive layers for organic solar cells and organic photodetectors BASF SE (DE) 2016-06-14 — — US disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
US-20120267579-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2012-10-25 — — US disclosed
WO-2011045253-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2011-04-21 — — WO disclosed
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