⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19088492 | 0.93 | ITGB3 (0.34) | — | |
| SCHEMBL19088497 | 0.92 | ITGB3 (0.34) | — | |
| SCHEMBL24297649 | 0.90 | ITGB3 (0.35) | — | |
| SCHEMBL24298092 | 0.90 | ITGB3 (0.32) | — | |
| SCHEMBL19245151 | 0.90 | ITGB3 (0.32) | — | |
| SCHEMBL19088496 | 0.90 | POLB (0.33) | — | |
| SCHEMBL21266699 | 0.89 | ITGB3 (0.33) | — | |
| SCHEMBL24297674 | 0.89 | ITGB3 (0.32) | — | |
| SCHEMBL21266689 | 0.88 | CTSL (0.31) | — | |
| SCHEMBL19066791 | 0.88 | ACACB (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3397638-B1 | ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2023-08-23 | — | — | EP | disclosed |
| WO-2017116702-A1 | ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS | MERIAL, INC. (US) | 2017-07-06 | — | — | WO | disclosed |