⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4578155 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL24436960 | 0.73 | — | — | |
| SCHEMBL11797001 | 0.73 | — | — | |
| SCHEMBL2719867 | 0.72 | — | — | |
| SCHEMBL9331248 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL17123476 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL27997465 | 0.69 | — | — | |
| SCHEMBL9931 | 0.69 | — | — | |
| SCHEMBL14231624 | 0.69 | — | — | |
| SCHEMBL1589134 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |
| US-9644115-B2 | Fluorochemical coating composition and article treated therewith | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-05-09 | — | — | US | disclosed |
| US-20150275046-A1 | FLUOROCHEMICAL COATING COMPOSITION AND ARTICLE TREATED THEREWITH | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-10-01 | — | — | US | disclosed |
| US-20080306308-A1 | PROCESS FOR PREPARING FLUORINE-CONTAINING ALKOXYALKANE | PANASONIC CORPORATION (JP) | 2008-12-11 | — | — | US | disclosed |
| US-20080306308-A1 | PROCESS FOR PREPARING FLUORINE-CONTAINING ALKOXYALKANE | PANASONIC CORPORATION (JP) | 2008-12-11 | — | — | US | disclosed |