SCHEMBL21283626

SCHEMBL21283626

CCC(CC)COC(=O)[C@H](C)N[PH](=O)OC[C@@H](OC#N)[C@@H](O)CCc1ccc2c(N)ncnn12

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
SCHEMBL25012634 0.93 — —
SCHEMBL24414215 0.86 — —
SCHEMBL25804278 0.81 — —
SCHEMBL27054784 0.77 RIPK1 (0.30) —
SCHEMBL25519303 0.75 POLRMT (0.30) —
SCHEMBL20878404 0.75 TMPRSS2 (0.32) —
SCHEMBL18636437 0.74 TMPRSS2 (0.43) —
SCHEMBL23844005 0.73 RIPK1 (0.31) —
SCHEMBL20078702 0.73 TMPRSS2 (0.33) —
SCHEMBL26287131 0.72 POLRMT (0.38) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695361-B2 Methods for treating arenaviridae and coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2020-06-30 — — US disclosed
US-20190255085-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-08-22 — — US disclosed
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