SCHEMBL16956011

SCHEMBL16956011

[CH2]C(CF)c1cc(Br)ccc1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PYCR1 P32322 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
SCHEMBL16956793 0.81 PYCR1 (0.32) PYCR1
SCHEMBL16955715 0.81 HSP90AA1 (0.34) —
SCHEMBL16960469 0.79 POLB (0.32) —
SCHEMBL16958288 0.79 DPP4 (0.33) PYCR1
SCHEMBL16954881 0.79 PYCR1 (0.33) PYCR1
SCHEMBL16952559 0.78 — —
SCHEMBL16958889 0.78 CYP3A4 (0.39) —
SCHEMBL16960609 0.78 ALDH1A1 (0.32) PYCR1
SCHEMBL16950337 0.77 KDM4E (0.38) PYCR1
SCHEMBL16953551 0.77 CYP2A6 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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