⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19681649 | 0.78 | — | — | |
| SCHEMBL28904204 | 0.75 | — | — | |
| SCHEMBL620842 | 0.73 | — | — | |
| SCHEMBL606948 | 0.71 | — | — | |
| Iodide SCHEMBL3998948 | 0.71 | — | — | |
| SCHEMBL8855299 | 0.69 | — | — | |
| Iodide SCHEMBL4690067 | 0.69 | — | — | |
| SCHEMBL29414535 | 0.67 | — | — | |
| Iodide SCHEMBL11727191 | 0.67 | — | — | |
| SCHEMBL1298104 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190185518-A9 | WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 | AILERON THERAPEUTICS, INC. | 2019-06-20 | — | — | US | disclosed |