SCHEMBL28526429

SCHEMBL28526429

O=C1CCC2(CO)CCCC12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35

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
SCHEMBL29637685 0.85 HTT (0.50) HTT
SCHEMBL3397059 0.69 HTT (0.38) HTT
SCHEMBL28528015 0.69 STAT3 (0.33)
SCHEMBL31348595 0.67 SRD5A1 (0.38)
SCHEMBL244366 0.67 HTT (0.46) HTT
SCHEMBL28562965 0.66 HTT (0.49) HTT
SCHEMBL31382688 0.65
SCHEMBL11129232 0.64 GAA (0.33)
SCHEMBL10908000 0.63 HTT (0.43) HTT
SCHEMBL28377991 0.63 HTT (0.43) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480121-A Polycyclic derivative and preparation thereof 四川海思科制药有限公司 2021-03-12 CN disclosed