⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121542 | 0.64 | — | — | |
| SCHEMBL9653108 | 0.64 | LMNA (0.34) | — | |
| SCHEMBL19953557 | 0.60 | — | — | |
| SCHEMBL19953556 | 0.60 | — | — | |
| SCHEMBL31663445 | 0.58 | GAA (0.32) | — | |
| SCHEMBL31663444 | 0.58 | GAA (0.32) | — | |
| SCHEMBL12986369 | 0.56 | — | — | |
| SCHEMBL562082 | 0.55 | — | — | |
| SCHEMBL562081 | 0.55 | — | — | |
| SCHEMBL452524 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997805-A | Heat sensitive recording material containing chromogenic dicyanomethylenepyrazolinones | CIBA-GEIGY CORPORATION (US) | 1991-03-05 | — | — | US | disclosed |
| US-4950754-A | Chromogenic dicyanomethylenepyrazolinones | CIBA-GEIGY CORPORATION (US) | 1990-08-21 | — | — | US | disclosed |
| US-4916234-A | PYRAZOLONE DYES, THERMOGRAPHY | CIBA-GEIGY CORPORATION (US) | 1990-04-10 | — | — | US | disclosed |