⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4921184 | 0.97 | TSHR (0.41) | — | |
| SCHEMBL65283 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2139309 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL634928 | 0.93 | ALDH1A1 (0.40) | — | |
| SCHEMBL10400438 | 0.93 | — | — | |
| Water SCHEMBL27453712 | 0.93 | — | — | |
| Hydroxyamine SCHEMBL16774695 | 0.90 | TSHR (0.44) | — | |
| SCHEMBL28852275 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL11383908 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL27739802 | 0.85 | 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 |