SCHEMBL30217137

SCHEMBL30217137

CC(C(=O)O)c1cccc(C(C)(c2cnc(-c3cc(Oc4c(F)cc5[nH]ccc5c4S(C)(=O)=O)ccc3F)[nH]2)C(F)F)c1

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
SCHEMBL30217276 0.88 — —
SCHEMBL29237241 0.88 — —
SCHEMBL30217140 0.87 FFAR1 (0.35) —
SCHEMBL29237233 0.87 FFAR1 (0.35) —
SCHEMBL29336940 0.80 BRD4 (0.32) —
SCHEMBL30285454 0.80 BRD4 (0.32) —
SCHEMBL29237262 0.78 FFAR1 (0.36) —
SCHEMBL30217019 0.78 FFAR1 (0.36) —
SCHEMBL30217087 0.76 — —
SCHEMBL29237831 0.76 — —

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
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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