SCHEMBL9219357

SCHEMBL9219357

CC(=O)OC(C)(N=NC(C)(OC(C)=O)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ALDH1A1 P00352 3/20 0.30

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
SCHEMBL20361867 0.76 GAA (0.44) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL1107368 0.76 GAA (0.44) GAATSHRCYP2C19CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL1033675 0.74 GAA (0.42) GAATSHRCYP2C19ALDH1A1
SCHEMBL10898522 0.72 TSHR (0.38) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL9224520 0.71 GAA (0.37) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL23548 0.70 TSHR (0.52) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL23549 0.70 TSHR (0.52) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL16087960 0.70 GAA (0.39) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL28787477 0.70 GAA (0.39) GAATSHRCYP2C19CYP2D6CYP2C9
SCHEMBL8605101 0.70 GAA (0.39) GAATSHRCYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519326-B1 Moldable mass for the production of sintered inorganic articles HOECHST AG (DE) 1995-09-06 EP disclosed
US-5254613-A Binder mixture of wax and ethylene-vinyl acetate copolymer HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
EP-0519326-A2 Moldable mass for the production of sintered inorganic articles HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0073038-B1 PROCESS FOR CROSS-LINKING AND IF REQUIRED FOAMING NATURAL OR SYNTHETIC HOMO- AND/OR COPOLYMERS Luperox GmbH (DE) 1986-01-02 EP disclosed
US-4460748-A Process for crosslinking and, if desired, foaming natural or synthetic homo- and/or copolymers LUPEROX GMBH (DE) 1984-07-17 US disclosed
EP-0073038-A1 Process for cross-linking and if required foaming natural or synthetic homo- and/or copolymers Luperox GmbH (DE) 1983-03-02 EP disclosed
US-4129531-A INSTEAD OF PEROXIDES AND AZO-ETHERS PENNWALT CORPORATION (US) 1978-12-12 US disclosed