⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8770450 | 0.86 | — | — | |
| SCHEMBL6983624 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL8957587 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL11327713 | 0.74 | — | — | |
| SCHEMBL13179990 | 0.74 | — | — | |
| SCHEMBL15480812 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL2705929 | 0.72 | GLS (0.45) | — | |
| SCHEMBL2599162 | 0.70 | — | — | |
| SCHEMBL6781953 | 0.70 | — | — | |
| SCHEMBL10197316 | 0.70 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017040606-A1 | ISOXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PULMONARY DISEASES AND DISORDERS | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |