SCHEMBL22235411

SCHEMBL22235411

COc1nc2c(c3ccccc13)CC(C(C)(C)C)C1=C2N(C)C(=O)C(C(=O)O)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
SCHEMBL22235460 0.87 — —
SCHEMBL22236138 0.82 — —
SCHEMBL22235325 0.80 MEN1 (0.30) —
SCHEMBL22235400 0.74 KDM4E (0.31) —
SCHEMBL22235409 0.71 GABRA1 (0.35) —
SCHEMBL22235514 0.71 GABRA1 (0.35) —
SCHEMBL22235343 0.71 GABRA1 (0.35) —
SCHEMBL29728904 0.71 GABRA1 (0.35) —
SCHEMBL22235440 0.68 ALDH1A1 (0.34) —
SCHEMBL22235484 0.68 ALDH1A1 (0.34) —

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-3911653-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-11-24 — — EP disclosed
WO-2020150366-A1 SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-07-23 — — WO disclosed
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