⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3941300 | 0.57 | — | — | |
| SCHEMBL19521030 | 0.53 | — | — | |
| SCHEMBL17736444 | 0.50 | CRBN (0.31) | — | |
| SCHEMBL20706 | 0.48 | — | — | |
| SCHEMBL12819993 | 0.46 | — | — | |
| SCHEMBL19425788 | 0.46 | — | — | |
| SCHEMBL1821183 | 0.46 | PDE3B (0.33) | — | |
| SCHEMBL3798661 | 0.46 | PDE3B (0.33) | — | |
| SCHEMBL1399146 | 0.45 | — | — | |
| Methane SCHEMBL10716051 | 0.45 | IDH1 (0.41) | — |
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-9833455-B2 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | SPACEFILL ENTERPRISES LLC (US) | 2017-12-05 | — | — | US | disclosed |