SCHEMBL28843255

SCHEMBL28843255

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4655167 0.77
SCHEMBL28852760 0.74
SCHEMBL14830598 0.74 CES2 (0.39) TSHRTDP1
SCHEMBL3288573 0.73 ALDH1A1 (0.40) TSHRTDP1
SCHEMBL1334369 0.71
SCHEMBL1986410 0.69
Propionic Acid SCHEMBL5523760 0.69 FFAR3 (0.48) TSHRTDP1
SCHEMBL18856300 0.69 TSHR (0.30) TSHRTDP1
SCHEMBL12424396 0.69 TDP1 (0.47) TSHRTDP1
SCHEMBL104255 0.67

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-114075180-A Immunomodulatory compounds and their anti-tumor applications 上海科技大学 2022-02-22 CN disclosed