⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7447299 | 0.73 | — | — | |
| SCHEMBL9833317 | 0.69 | — | — | |
| SCHEMBL2202748 | 0.68 | — | — | |
| SCHEMBL9832254 | 0.66 | — | — | |
| SCHEMBL103011 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL4034677 | 0.64 | — | — | |
| SCHEMBL9833548 | 0.62 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL27420370 | 0.62 | CHRM5 (0.40) | — | |
| SCHEMBL108025 | 0.62 | — | — | |
| SCHEMBL3389545 | 0.62 | NOS1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082845-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES | University Of Manitoba (CA) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015089664-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES | UNIVERSITY OF MANITOBA (CA) | 2015-06-25 | — | — | WO | disclosed |
| EP-1224183-B1 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1224183-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027107-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-04-19 | — | — | WO | disclosed |