⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9648837 | 0.72 | — | — | |
| SCHEMBL3367907 | 0.58 | — | — | |
| SCHEMBL15737649 | 0.58 | — | — | |
| SCHEMBL5074777 | 0.58 | — | — | |
| SCHEMBL10601607 | 0.58 | — | — | |
| SCHEMBL110441 | 0.58 | — | — | |
| SCHEMBL3127586 | 0.58 | — | — | |
| SCHEMBL10458620 | 0.58 | — | — | |
| SCHEMBL1001210 | 0.58 | — | — | |
| SCHEMBL1498021 | 0.58 | — | — |
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-20130252294-A1 | PRODUCTION OF INDUSTRIALLY RELEVANT COMPOUNDS IN PROKARYOTIC ORGANISMS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2013-09-26 | — | — | US | disclosed |