SCHEMBL9500035

SCHEMBL9500035

CC(C)C1(C)CCCC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL17790435 0.86
SCHEMBL11397115 0.76 GRIK1 (0.33)
SCHEMBL22539809 0.72
SCHEMBL19419770 0.72 TRIM24 (0.31) TRIM24TRIM33
SCHEMBL11476269 0.72 THRB (0.41) ALDH1A1
SCHEMBL14747670 0.72 MEN1 (0.33) TRIM24TRIM33ALDH1A1
SCHEMBL8749 0.72
SCHEMBL4784890 0.72 TSHR (0.30)
SCHEMBL11267533 0.70 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9543026 0.70

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
WO-2018148092-A1 TRANSFER-HYDROGENATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2018-08-16 WO claimed
US-9988329-B1 Transfer-hydrogenation process EASTMAN CHEMICAL COMPANY (US) 2018-06-05 US claimed
US-4058571-A HYDROGENATION, COBALT-MANGANESE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US claimed
WO-2018148092-A1 TRANSFER-HYDROGENATION PROCESS EASTMAN CHEMICAL COMPANY (US) 2018-08-16 WO disclosed
US-9988329-B1 Transfer-hydrogenation process EASTMAN CHEMICAL COMPANY (US) 2018-06-05 US disclosed
US-5210328-A Monomers for polyether ketones, polycarbonates, polyether sulfones BAYER AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed
US-4058571-A HYDROGENATION, COBALT-MANGANESE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed