SCHEMBL23487838

SCHEMBL23487838

COc1ccc(C(OC[C@H]2C[C@@H](Oc3cnsn3)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

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
SCHEMBL24166545 1.00 — —
SCHEMBL23487843 0.86 — —
SCHEMBL27250717 0.81 — —
SCHEMBL23455994 0.79 SLC6A1 (0.30) —
SCHEMBL23456144 0.77 ACP1 (0.30) —
SCHEMBL12765859 0.76 TYMP (0.32) —
SCHEMBL13374809 0.76 TYMP (0.32) —
SCHEMBL13329991 0.76 TYMP (0.32) —
SCHEMBL24829632 0.76 TYMP (0.32) —
SCHEMBL25747161 0.76 TYMP (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 — — US disclosed
EP-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 — — EP disclosed
US-20210171565-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-06-10 — — US disclosed
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