⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20404464 | 0.75 | — | — | |
| SCHEMBL14145041 | 0.73 | — | — | |
| SCHEMBL25085778 | 0.71 | — | — | |
| SCHEMBL24463735 | 0.71 | — | — | |
| SCHEMBL19775465 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL3205736 | 0.69 | — | — | |
| SCHEMBL22803776 | 0.69 | — | — | |
| SCHEMBL29497305 | 0.69 | — | — | |
| SCHEMBL23965480 | 0.67 | — | — | |
| SCHEMBL19413712 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021151014-A1 | PGDH INHIBITORS AND METHODS OF MAKING AND USING | MYOFORTE THERAPEUTICS, INC. (US) | 2021-07-29 | — | — | WO | disclosed |
| US-20200148716-A1 | AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING | AGRIMETIS, LLC (US) | 2020-05-14 | — | — | US | disclosed |
| US-10570165-B2 | Aziridine spinosyn derivatives and methods of making | AGRIMETIS, LLC (US) | 2020-02-25 | — | — | US | disclosed |