⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1495190 | 0.91 | ALDH1A1 (0.48) | — | |
| SCHEMBL1042080 | 0.85 | — | — | |
| SCHEMBL12660515 | 0.85 | MEN1 (0.48) | — | |
| SCHEMBL16853212 | 0.85 | ALDH1A1 (0.55) | — | |
| SCHEMBL24611784 | 0.82 | ALDH1A1 (0.59) | — | |
| SCHEMBL14198854 | 0.82 | ALDH1A1 (0.59) | — | |
| SCHEMBL1886044 | 0.80 | — | — | |
| SCHEMBL1417077 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL3074874 | 0.79 | CA2 (0.44) | — | |
| SCHEMBL8351641 | 0.78 | PAOX (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0236872-B1 | HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-25 | — | — | EP | claimed |
| US-4996358-A | Control, prevention rheumatic diseases | HOFFMANN-LA ROCHE INC. (US) | 1991-02-26 | — | — | US | claimed |
| EP-0236872-A2 | Hydroxyl amine derivatives, their preparation and use as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-16 | — | — | EP | claimed |
| EP-0236872-B1 | HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-25 | — | — | EP | disclosed |
| EP-0423943-A2 | Use of collagenase inhibitors in the treatment of demyelinating diseases, in particular multiple sclerosis | Beecham Group p.l.c. (GB) | 1991-04-24 | — | — | EP | disclosed |
| US-4996358-A | Control, prevention rheumatic diseases | HOFFMANN-LA ROCHE INC. (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0236872-A2 | Hydroxyl amine derivatives, their preparation and use as medicaments | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-16 | — | — | EP | disclosed |