SCHEMBL9720079

SCHEMBL9720079

CC1CC(=O)CC(C)(C)C1.CC1CC(=O)CCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19449950 0.82 CYP19A1 (0.37) ALDH1A1
SCHEMBL4868570 0.82 ALDH1A1 (0.42) ALDH1A1GAATDP1
SCHEMBL10261126 0.82 CYP19A1 (0.37) ALDH1A1
SCHEMBL7749980 0.82 CYP19A1 (0.37) ALDH1A1
SCHEMBL24862 0.82 ALDH1A1 (0.42) ALDH1A1GAATDP1
SCHEMBL27781831 0.82 ALDH1A1 (0.42) ALDH1A1GAATDP1
Water SCHEMBL27960090 0.80 ALDH1A1 (0.41) ALDH1A1GAATDP1
SCHEMBL7751266 0.79 CRBN (0.34) ALDH1A1GAATDP1
Ethylene SCHEMBL28206554 0.79 ALDH1A1 (0.41) ALDH1A1GAATDP1
SCHEMBL9720093 0.77 ALDH1A1 (0.34) ALDH1A1GAATDP1

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-5143986-A POLYMER MIXTURES OF AN AROMATIC POLYETHER KETONE AND A THERMOPLASTIC POLYMER BAYER AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
US-5134195-A Blend of polycarbonate, polyurethane and graft polymer BAYER AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed
US-5115076-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed