SCHEMBL23818697

SCHEMBL23818697

CC(C)C(=O)O[C@H]1C[C@H](c2ccc3c(/N=C/N(C)C)ncnn23)O[C@]1(C)CO[PH](=O)Oc1ccccc1

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
SCHEMBL26334248 0.81 — —
SCHEMBL23844011 0.77 DOT1L (0.32) —
SCHEMBL23819161 0.77 DOT1L (0.32) —
SCHEMBL23960101 0.70 — —
SCHEMBL26238600 0.69 POLRMT (0.36) —
SCHEMBL26238479 0.69 POLRMT (0.34) —
SCHEMBL31430674 0.68 POLRMT (0.34) —
SCHEMBL26240621 0.68 — —
SCHEMBL26240603 0.68 — —
SCHEMBL23818903 0.68 — —

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-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 — — US disclosed
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