SCHEMBL21243822

SCHEMBL21243822

CCCCCCCCCCNC(=O)NC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 17/20 0.55
CASP2 P42575 1/20 0.42
MLYCD O95822 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11872404 0.80 EPHX1 (0.67) EPHX1CASP2MLYCDEPHX2ALDH1A1
SCHEMBL11865441 0.80 EPHX1 (0.67) EPHX1CASP2MLYCDEPHX2ALDH1A1
SCHEMBL10046349 0.78 EPHX1 (0.59) EPHX1CASP2EPHX2
SCHEMBL10046413 0.78 EPHX1 (0.59) EPHX1CASP2EPHX2
SCHEMBL10619817 0.78 EPHX1 (0.64) EPHX1CASP2MLYCDALDH1A1
SCHEMBL1169288 0.78 EPHX1 (0.64) EPHX1CASP2MLYCDALDH1A1
SCHEMBL27528283 0.74 EPHX1 (0.40) EPHX1MLYCDALDH1A1
SCHEMBL19336851 0.73 EPHX1 (0.82) EPHX1CASP2EPHX2ALDH1A1HTT
SCHEMBL25271304 0.73 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25277850 0.73 EPHX1 (1.00) EPHX1CASP2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109923620-B Method for treating silica-filled polyamides by impregnation in supercritical CO2 原子能与替代能源委员会 2020-10-23 CN disclosed
US-20190248973-A1 PROCESS FOR TREATING SILICA-FILLED POLYAMIDE BY IMPREGNATION IN SUPERCRITICAL CO2 COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-08-15 US disclosed