⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10291757 | 1.00 | — | — | |
| SCHEMBL172424 | 1.00 | — | — | |
| SCHEMBL24862296 | 0.87 | SLC6A4 (0.31) | — | |
| SCHEMBL172671 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL20052772 | 0.83 | SLC6A4 (0.32) | — | |
| SCHEMBL14818606 | 0.81 | — | — | |
| SCHEMBL22882514 | 0.80 | SLC6A4 (0.32) | — | |
| SCHEMBL24930782 | 0.80 | SLC6A4 (0.32) | — | |
| SCHEMBL19101519 | 0.80 | SLC6A4 (0.32) | — | |
| SCHEMBL25797129 | 0.80 | SLC6A4 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160333006-A1 | ARYL LACTA KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-11-17 | — | — | US | disclosed |
| US-8901305-B2 | Aryl lactam kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-12-02 | — | — | US | disclosed |
| WO-2014022167-A1 | ARYL LACTAM KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-06 | — | — | WO | disclosed |
| WO-2013131018-A1 | BIARYL INHIBITORS OF THE SODIUM CHANNEL | ZALICUS PHARMACEUTICALS LTD. (US) | 2013-09-06 | — | — | WO | disclosed |
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |