⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5390855 | 0.71 | MAP3K14 (0.36) | — | |
| SCHEMBL6882374 | 0.71 | KDM4E (0.35) | — | |
| Noreximide SCHEMBL14536593 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL17875126 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL1105956 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL24120970 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL17369118 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL16664270 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL339739 | 0.70 | ALDH1A1 (0.48) | — | |
| Noreximide SCHEMBL2109030 | 0.70 | ALDH1A1 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3356370-B1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS INC (US) | 2021-08-18 | — | — | EP | claimed |
| US-10112953-B2 | 11,13-modified saxitoxins for the treatment of pain | SITEONE THERAPEUTICS, INC. (US) | 2018-10-30 | — | — | US | claimed |
| US-20170233398-A1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. | 2017-08-17 | — | — | US | claimed |
| EP-3356370-B1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS INC (US) | 2021-08-18 | — | — | EP | disclosed |
| US-10112953-B2 | 11,13-modified saxitoxins for the treatment of pain | SITEONE THERAPEUTICS, INC. (US) | 2018-10-30 | — | — | US | disclosed |
| US-20170233398-A1 | 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. | 2017-08-17 | — | — | US | disclosed |