⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL17501713 | 0.79 | HRH3 (0.32) | — | |
| Water SCHEMBL23403854 | 0.79 | HRH3 (0.32) | — | |
| SCHEMBL35708 | 0.77 | HRH3 (0.33) | — | |
| SCHEMBL35707 | 0.77 | HRH3 (0.33) | — | |
| SCHEMBL6058599 | 0.77 | — | — | |
| SCHEMBL1276531 | 0.75 | — | — | |
| SCHEMBL5597901 | 0.75 | — | — | |
| SCHEMBL24979273 | 0.70 | — | — | |
| SCHEMBL10028580 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4135074 | 0.69 | ALDH1A1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023356-A1 | SPECIFIC FLUORINATED ETHERS AS REACTION MEDIUM | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999016809-A1 | SPECIFIC FLUORINATED ETHERS AS REACTION MEDIUM | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1999-04-08 | — | — | WO | disclosed |