⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4220900 | 1.00 | — | — | |
| SCHEMBL9425465 | 1.00 | — | — | |
| SCHEMBL28465878 | 0.77 | — | — | |
| SCHEMBL6046428 | 0.77 | — | — | |
| SCHEMBL1811076 | 0.77 | — | — | |
| SCHEMBL2482835 | 0.75 | RAB9A (0.43) | — | |
| SCHEMBL2482828 | 0.75 | RAB9A (0.43) | — | |
| SCHEMBL2482831 | 0.75 | RAB9A (0.43) | — | |
| SCHEMBL17074314 | 0.73 | SLC6A3 (0.45) | — | |
| SCHEMBL2623590 | 0.73 | — | — |
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-5342780-A | Methods of enzymatically separating stereoisomers of a racemic mixture of a reactive ester | UNIVERSITY OF NEW MEXICO (US) | 1994-08-30 | — | — | US | disclosed |