⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31536479 | 0.77 | CYP2C9 (0.39) | — | |
| SCHEMBL18535670 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL874108 | 0.73 | POLB (0.31) | — | |
| SCHEMBL10609845 | 0.73 | — | — | |
| SCHEMBL16707365 | 0.70 | HSD11B1 (0.32) | — | |
| SCHEMBL11391584 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL31173708 | 0.68 | — | — | |
| SCHEMBL18535676 | 0.67 | — | — | |
| SCHEMBL120101 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL25631100 | 0.66 | ESR1 (0.45) | — |
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-5135679-A | Lower vapor pressure, higher flash point, lower toxicity | MIRSKY JEFFREY (US) | 1992-08-04 | — | — | US | disclosed |