⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3177401 | 0.80 | RIPK1 (0.38) | — | |
| SCHEMBL570338 | 0.77 | POLB (0.32) | — | |
| SCHEMBL5520665 | 0.77 | NOTUM (0.36) | — | |
| SCHEMBL5522854 | 0.77 | NOTUM (0.36) | — | |
| SCHEMBL707044 | 0.77 | HDAC4 (0.34) | — | |
| SCHEMBL5778285 | 0.74 | POLB (0.31) | — | |
| SCHEMBL666525 | 0.74 | POLB (0.31) | — | |
| SCHEMBL20294832 | 0.73 | GABRP (0.37) | — | |
| SCHEMBL25293911 | 0.71 | — | — | |
| SCHEMBL25283910 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095040-A1 | CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-04-19 | — | — | US | disclosed |