⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL652266 | 0.83 | — | — | |
| SCHEMBL3284394 | 0.83 | — | — | |
| Isopropyl Alcohol SCHEMBL27611748 | 0.78 | ALDH1A1 (0.44) | — | |
| Ethylene SCHEMBL11406562 | 0.76 | — | — | |
| SCHEMBL7891 | 0.75 | — | — | |
| SCHEMBL298780 | 0.75 | — | — | |
| SCHEMBL28487906 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL4485842 | 0.71 | — | — | |
| SCHEMBL10604312 | 0.71 | — | — | |
| SCHEMBL9001123 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0736569-A1 | Derivatives of pyrrolodiazine as stabilisers for polymers containing chlorine | CIBA-GEIGY AG (CH) | 1996-10-09 | — | — | EP | disclosed |