⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27411834 | 0.73 | — | — | |
| SCHEMBL25107918 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL19477467 | 0.65 | — | — | |
| SCHEMBL18938879 | 0.63 | PDPK1 (0.34) | — | |
| SCHEMBL12810035 | 0.62 | — | — | |
| SCHEMBL5365242 | 0.62 | — | — | |
| SCHEMBL16130316 | 0.61 | TDP1 (0.45) | — | |
| SCHEMBL12333655 | 0.61 | — | — | |
| SCHEMBL8168153 | 0.61 | TDP1 (0.45) | — | |
| SCHEMBL16508030 | 0.61 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9469654-B2 | Bicyclic oxa-lactam kinase inhibitors | PORTOLA PHARMACEUTICALS, INC. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20150252056-A1 | BICYCLIC OXA-LACTAM KINASE INHIBITORS | ALEXION PHARMACEUTICALS, INC. | 2015-09-10 | — | — | US | disclosed |