⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15401090 | 0.85 | ODC1 (0.32) | — | |
| SCHEMBL995528 | 0.83 | DNM1 (0.35) | — | |
| SCHEMBL2283399 | 0.78 | — | — | |
| SCHEMBL8522344 | 0.73 | — | — | |
| SCHEMBL1576711 | 0.73 | SMPD1 (0.41) | — | |
| SCHEMBL27987558 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL5182291 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL15668489 | 0.70 | ODC1 (0.32) | — | |
| SCHEMBL6745310 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL1099504 | 0.67 | — | — |
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-1200135-A1 | MONITORING METHOD FOR STERILIZATION WITH ETHYLENE OXIDE | Patel, Gordhanbhai N. (US) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001010471-A1 | DOSIMETER FOR STERILIZATION WITH ETHYLENE OXIDE | PATEL GORDHANBHAI N (US) | 2001-02-15 | — | — | WO | disclosed |