⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15711670 | 0.75 | — | — | |
| SCHEMBL11703030 | 0.75 | — | — | |
| SCHEMBL14355926 | 0.72 | — | — | |
| SCHEMBL12639997 | 0.72 | — | — | |
| SCHEMBL17613394 | 0.72 | — | — | |
| SCHEMBL10999251 | 0.69 | — | — | |
| SCHEMBL27996766 | 0.69 | — | — | |
| Acetic Acid SCHEMBL3270486 | 0.67 | — | — | |
| Iodomethane SCHEMBL28093528 | 0.64 | — | — | |
| SCHEMBL31303940 | 0.64 | — | — |
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-20240174719-A1 | PROTEINS AND USES THEREOF | JAMES COOK UNIVERSITY (AU) | 2024-05-30 | — | — | US | disclosed |