SCHEMBL28486297

SCHEMBL28486297

CCC(C)c1cccc(N=C=N)c1C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44

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
SCHEMBL18245566 0.87 TSHR (0.47) TSHR
SCHEMBL18245733 0.84 TSHR (0.44) TSHR
SCHEMBL28474786 0.80 TSHR (0.46) TSHR
SCHEMBL2371854 0.76 TSHR (0.58) TSHR
SCHEMBL578079 0.76 GABRA1 (0.38) TSHR
Butane SCHEMBL27755689 0.71 NOS3 (0.44) TSHR
SCHEMBL28485748 0.71 GAA (0.39) TSHR
SCHEMBL11416333 0.70 TSHR (0.57) TSHR
SCHEMBL20580445 0.70 SIGMAR1 (0.41) TSHR
SCHEMBL2048540 0.70 TSHR (0.50) 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-107848963-B Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same 富士胶片和光纯药株式会社 2020-11-03 — — CN disclosed
Send feedback