SCHEMBL9717101

SCHEMBL9717101

CN1C(C)(C)CC(=O)CC1(C)C.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
SCHEMBL578932 0.97 GAA (0.35) GAAMEN1KMT2ATSHRNFKB1
Iodide SCHEMBL6292630 0.94 GAA (0.34) GAAMEN1KMT2ATSHRNFKB1
Hydrochloric Acid SCHEMBL11333509 0.94 GAA (0.34) GAAMEN1KMT2ATSHRNFKB1
Acetic Acid SCHEMBL984620 0.85 TSHR (0.39) GAAMEN1KMT2ATSHRNFKB1
Tetrahydrofuran SCHEMBL6024003 0.82 ALDH1A1 (0.33)
SCHEMBL15071294 0.80 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL13629764 0.77 KDM4E (0.34) TSHRCYP2C19
Nitrilotriacetic Acid SCHEMBL986873 0.76 TSHR (0.37) GAAMEN1KMT2ATSHRNFKB1
SCHEMBL50791 0.74 GAA (0.39) GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL20704048 0.74 GAA (0.35) GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162405-A Single-functional and mixtures of multi-functional oligomeric performance additive compositions and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-11-10 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed