⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9255023 | 0.85 | HRH4 (0.31) | — | |
| SCHEMBL272858 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL7379406 | 0.76 | — | — | |
| SCHEMBL3030599 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL13859290 | 0.73 | ABCC3 (0.36) | — | |
| SCHEMBL30843185 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL22013195 | 0.72 | — | — | |
| SCHEMBL25554293 | 0.72 | CA12 (0.31) | — | |
| SCHEMBL297924 | 0.70 | — | — | |
| SCHEMBL7647028 | 0.70 | — | — |
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-5426192-A | Heat or pressure sensitive recording materials | CIBA-GEIGY CORPORATION (US) | 1995-06-20 | — | — | US | disclosed |
| US-5329006-A | Heat and pressure sensitive elements for copies | CIBA-GEIGY CORPORATION (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0475908-A1 | Chromogenic lactam compounds, their production and use | CIBA-GEIGY AG (CH) | 1992-03-18 | — | — | EP | disclosed |