⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19042831 | 1.00 | — | — | |
| SCHEMBL10174803 | 1.00 | — | — | |
| SCHEMBL8272024 | 1.00 | — | — | |
| SCHEMBL21516152 | 0.86 | TSHR (0.52) | — | |
| SCHEMBL28150662 | 0.82 | DPP4 (0.43) | — | |
| SCHEMBL2182183 | 0.80 | — | — | |
| SCHEMBL19368089 | 0.80 | — | — | |
| SCHEMBL26611997 | 0.80 | — | — | |
| SCHEMBL3830467 | 0.80 | — | — | |
| SCHEMBL6573684 | 0.80 | — | — |
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-9598454-B2 | Mannose derivatives for treating bacterial infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-03-21 | — | — | US | disclosed |