⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459368 | 0.75 | — | — | |
| SCHEMBL12898291 | 0.75 | HIF1A (0.39) | — | |
| SCHEMBL14601135 | 0.75 | HIF1A (0.39) | — | |
| Hydrochloric Acid SCHEMBL27679012 | 0.73 | — | — | |
| SCHEMBL13368624 | 0.71 | — | — | |
| SCHEMBL4379959 | 0.71 | — | — | |
| SCHEMBL10306801 | 0.71 | — | — | |
| SCHEMBL1271400 | 0.71 | — | — | |
| SCHEMBL16306519 | 0.71 | — | — | |
| SCHEMBL2610603 | 0.71 | — | — |
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-8129156-B2 | Microorganisms for the production of 1,4-butanediol | GENOMATICA, INC. (US) | 2012-03-06 | — | — | US | disclosed |