⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1413545 | 1.00 | — | — | |
| SCHEMBL1413430 | 1.00 | — | — | |
| SCHEMBL862022 | 1.00 | — | — | |
| SCHEMBL1413541 | 1.00 | — | — | |
| SCHEMBL6443728 | 1.00 | — | — | |
| SCHEMBL1413431 | 1.00 | — | — | |
| SCHEMBL2034456 | 0.97 | CA1 (0.50) | — | |
| SCHEMBL2034544 | 0.97 | CA1 (0.50) | — | |
| SCHEMBL2034453 | 0.97 | CA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3853134 | 0.97 | CA1 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3402785-B1 | 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-02-26 | — | — | EP | disclosed |
| US-7538132-B2 | Isoxazolo derivatives | HOFFMAN-LA ROCHE INC. (US) | 2009-05-26 | — | — | US | disclosed |
| EP-1931661-B1 | ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-11-19 | — | — | EP | disclosed |
| US-20070066668-A1 | Isoxazolo derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-22 | — | — | US | disclosed |