⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28249 | 0.75 | — | — | |
| SCHEMBL30938198 | 0.74 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL29203169 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL290193 | 0.73 | — | — | |
| SCHEMBL3723514 | 0.71 | — | — | |
| SCHEMBL4624035 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2243177 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL181776 | 0.71 | FDPS (0.35) | — | |
| SCHEMBL6536467 | 0.71 | — | — | |
| SCHEMBL17004710 | 0.69 | FDPS (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014350-A2 | POLYMER CONJUGATES OF A LOCAL ANAESTHETIC DRUG | SIRUS PHARMACEUTICALS LTD (GB) | 2004-02-19 | — | — | WO | disclosed |