SCHEMBL20820945

SCHEMBL20820945

CCC(C)(I)C(=O)OCCC1CC2CC1C(O)(C(F)(F)F)C2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL20691782 0.81 — —
SCHEMBL20215488 0.80 — —
SCHEMBL18897969 0.80 — —
SCHEMBL18634199 0.78 THRB (0.33) —
SCHEMBL20820982 0.76 — —
SCHEMBL20215431 0.76 — —
SCHEMBL18786075 0.72 — —
SCHEMBL19335284 0.71 — —
SCHEMBL20820946 0.71 — —
SCHEMBL20691777 0.71 — —

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
US-10234757-B2 Polymer, making method, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-03-19 — — US disclosed
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