SCHEMBL28062583

SCHEMBL28062583

CC(C)(C)CC(C)(C)c1cc(CN)cc(C(C)(C)CC(C)(C)C)c1OCC(CO)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27979672 0.87
SCHEMBL27284159 0.85 ALDH1A1 (0.37) CYP3A4SMN1; SMN2
SCHEMBL28958829 0.84 CYP3A4 (0.33) CYP3A4SMN1; SMN2
SCHEMBL27494716 0.81 MEN1 (0.34) CYP3A4
Phosphoric Acid SCHEMBL27622426 0.79 MEN1 (0.33) CYP3A4
SCHEMBL28819939 0.79 MEN1 (0.33) CYP3A4
SCHEMBL27893433 0.77 CYP3A4 (0.39) CYP3A4SMN1; SMN2
Pyrophosphoric Acid SCHEMBL27490053 0.76 MEN1 (0.31) CYP3A4
Pyrophosphoric Acid SCHEMBL27558863 0.75 MEN1 (0.30) CYP3A4
SCHEMBL28273784 0.73

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
CN-104804186-B A kind of polyamide and the daiamid composition being made from it 珠海万通特种工程塑料有限公司 2017-12-01 CN disclosed
CN-104804429-B A kind of polyamide and the daiamid composition being made from it 珠海万通特种工程塑料有限公司 2017-11-03 CN disclosed
CN-104672444-B A kind of polyamide and consisting of daiamid composition 珠海万通特种工程塑料有限公司 2016-08-24 CN disclosed
CN-104937034-B Daiamid composition and formed products 旭化成株式会社 2016-08-24 CN disclosed
CN-105849196-A Polyamide composition, molded article, reflective board for LEDs, and method for preventing heat-induced reflectivity reduction 旭化成株式会社 2016-08-10 CN disclosed