SCHEMBL22201020

SCHEMBL22201020

C[C@@H]1C2CC3C1OC(=O)C3(C#N)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
SCHEMBL19850946 1.00 — —
SCHEMBL23504929 0.87 — —
SCHEMBL25895600 0.81 — —
SCHEMBL13929703 0.81 — —
SCHEMBL14890698 0.77 — —
SCHEMBL13701177 0.76 — —
SCHEMBL13515813 0.76 — —
SCHEMBL13588094 0.74 — —
SCHEMBL15830877 0.74 — —
SCHEMBL17577429 0.74 — —

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-20200218154-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 — — US disclosed
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