SCHEMBL29065768

SCHEMBL29065768

C[CH]CC(C)CC(C)CC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39

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
SCHEMBL56450 0.85
SCHEMBL5664986 0.84 TSHR (0.32) TSHR
SCHEMBL29197507 0.82 TSHR (0.53) TSHR
SCHEMBL31365425 0.82 TSHR (0.53) TSHR
SCHEMBL10892113 0.80 ACE2 (0.41) TSHR
SCHEMBL8071653 0.79 TSHR (0.32) TSHR
SCHEMBL4269680 0.79 TSHR (0.56) TSHR
SCHEMBL3775801 0.77
SCHEMBL4228717 0.77 ALDH1A1 (0.30) TSHR
SCHEMBL10639593 0.77 ALDH1A1 (0.30) TSHR

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-116685409-A Method for flotation of silicate-containing iron ore 巴斯夫欧洲公司 2023-09-01 CN disclosed