⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27969398 | 0.82 | — | — | |
| SCHEMBL148912 | 0.82 | — | — | |
| SCHEMBL29165411 | 0.78 | — | — | |
| SCHEMBL30495494 | 0.78 | — | — | |
| SCHEMBL30423196 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29099790 | 0.78 | — | — | |
| Propanol SCHEMBL31488643 | 0.78 | LMNA (0.32) | — | |
| 1,4-Butanediol SCHEMBL27324072 | 0.78 | SMN1; SMN2 (0.36) | — | |
| Glycerin SCHEMBL27679416 | 0.78 | LMNA (0.50) | — | |
| Methoxymethane SCHEMBL11545279 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |