⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3408770 | 0.70 | — | — | |
| SCHEMBL882263 | 0.69 | — | — | |
| SCHEMBL13486475 | 0.67 | — | — | |
| SCHEMBL13486476 | 0.67 | — | — | |
| SCHEMBL20115472 | 0.67 | — | — | |
| SCHEMBL18863926 | 0.67 | — | — | |
| SCHEMBL9646996 | 0.67 | — | — | |
| SCHEMBL23722482 | 0.65 | ALDH1A1 (0.47) | — | |
| SCHEMBL38146 | 0.65 | — | — | |
| SCHEMBL7692054 | 0.65 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221805-B2 | Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors | Spacefill Enterprises LLP (US) | 2015-12-29 | — | — | US | disclosed |
| US-20140228367-A1 | PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS | VIBLIOME THERAPEUTICS, LLC | 2014-08-14 | — | — | US | disclosed |