SCHEMBL30032003

SCHEMBL30032003

CC(C)(C)[C@@H]1Cc2c(nc3c(C(F)F)cccn23)-c2[nH]c(=O)c(C(=O)O)cc21

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
SCHEMBL30030851 1.00 — —
SCHEMBL30031814 1.00 — —
SCHEMBL24357108 0.87 HCRTR2 (0.30) —
SCHEMBL30032830 0.87 NR1H2 (0.33) —
SCHEMBL30032126 0.87 NR1H2 (0.33) —
SCHEMBL30032273 0.87 NR1H2 (0.33) —
SCHEMBL24357019 0.85 KDM4E (0.32) —
SCHEMBL30031826 0.80 CNR2 (0.32) —
SCHEMBL30031210 0.80 CNR2 (0.32) —
SCHEMBL30031744 0.80 CNR2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 — — WO claimed
WO-2022214937-A1 SUBSTITUTED TETRACYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-13 — — WO disclosed
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