⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19088621 | 0.79 | AAK1 (0.34) | — | |
| SCHEMBL26034208 | 0.77 | AAK1 (0.33) | — | |
| SCHEMBL24093734 | 0.76 | AAK1 (0.33) | — | |
| SCHEMBL18248195 | 0.74 | AAK1 (0.36) | — | |
| SCHEMBL18248194 | 0.74 | AAK1 (0.36) | — | |
| SCHEMBL20166246 | 0.73 | NFKB1 (0.35) | — | |
| SCHEMBL24093690 | 0.72 | MMP13 (0.38) | — | |
| SCHEMBL18256297 | 0.72 | MMP13 (0.38) | — | |
| SCHEMBL18248065 | 0.72 | MMP13 (0.38) | — | |
| SCHEMBL18248003 | 0.71 | MMP13 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3298027-B1 | ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2021-04-28 | — | — | EP | disclosed |