SCHEMBL22235460

SCHEMBL22235460

CN1C(=O)C(C(=O)O)CC2=C1c1nc(Cl)c3ccccc3c1CC2C(C)(C)C

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
SCHEMBL22236138 0.90 — —
SCHEMBL22235411 0.87 — —
SCHEMBL22259908 0.71 — —
SCHEMBL22235748 0.70 KDM4E (0.32) —
SCHEMBL22235426 0.70 KDM4E (0.32) —
SCHEMBL22235429 0.70 KDM4E (0.32) —
SCHEMBL22236137 0.66 GABRG2 (0.41) —
SCHEMBL22235325 0.66 MEN1 (0.30) —
SCHEMBL22236064 0.65 TP53 (0.39) —
SCHEMBL22235400 0.60 KDM4E (0.31) —

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
Send feedback