⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29735361 | 0.97 | — | — | |
| SCHEMBL7676 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL30557202 | 0.95 | — | — | |
| SCHEMBL27957052 | 0.83 | APLNR (0.46) | — | |
| SCHEMBL27957064 | 0.78 | APLNR (0.42) | — | |
| SCHEMBL3819587 | 0.76 | — | — | |
| SCHEMBL4974 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28177242 | 0.74 | — | — | |
| SCHEMBL28508474 | 0.74 | POLB (0.50) | — | |
| SCHEMBL15650037 | 0.72 | FFAR1 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116120226-A | Synthesis process of 5-hydroxymethyl nicotinonitrile | 湖南阿斯迪康药业有限公司 | 2023-05-16 | — | — | CN | claimed |
| CN-116120226-A | Synthesis process of 5-hydroxymethyl nicotinonitrile | 湖南阿斯迪康药业有限公司 | 2023-05-16 | — | — | CN | disclosed |
| EP-3042900-B1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-09-23 | — | — | EP | disclosed |
| US-9586951-B2 | Morpholine derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2017-03-07 | — | — | US | disclosed |
| EP-3042900-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | Fujifilm Corporation (JP) | 2016-07-13 | — | — | EP | disclosed |
| US-20160168139-A1 | NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2016-06-16 | — | — | US | disclosed |
| WO-1999020617-A1 | ANTIINFLAMMATORY THIADIAZOLYL UREAS WHICH ACT AS LFA-1 AND MAC-1 INHIBITORS | ACTIVE BIOTECH AB (SE) | 1999-04-29 | — | — | WO | disclosed |