⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3226130 | 0.77 | — | — | |
| SCHEMBL929876 | 0.75 | — | — | |
| SCHEMBL11402674 | 0.75 | — | — | |
| SCHEMBL930869 | 0.75 | — | — | |
| SCHEMBL28872401 | 0.71 | — | — | |
| SCHEMBL28081773 | 0.71 | — | — | |
| SCHEMBL9410515 | 0.71 | — | — | |
| SCHEMBL3250672 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL931551 | 0.68 | TDP1 (0.38) | — | |
| SCHEMBL8025080 | 0.68 | TRPA1 (0.42) | — |
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-0796850-B1 | 4,5-Diiminopyrazolines, their process of preparation and dyeing compositions containing them | OREAL (FR) | 1999-07-28 | — | — | EP | claimed |
| EP-0796850-B1 | 4,5-Diiminopyrazolines, their process of preparation and dyeing compositions containing them | OREAL (FR) | 1999-07-28 | — | — | EP | disclosed |