⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9994 | 0.97 | — | — | |
| SCHEMBL3433794 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27726380 | 0.94 | — | — | |
| SCHEMBL11357464 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27625277 | 0.94 | — | — | |
| Water SCHEMBL28089654 | 0.94 | — | — | |
| Chloromethane SCHEMBL28271496 | 0.88 | — | — | |
| SCHEMBL28386949 | 0.88 | CA2 (0.36) | — | |
| Bicarbonate SCHEMBL9493268 | 0.86 | CA2 (0.34) | — | |
| SCHEMBL16508019 | 0.86 | CA2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0637513-B1 | PRESSURE- AND HEAT-SENSITIVE MULTILAYER COPYING PAPER | NAIGAI CARBON INK (JP) | 2000-06-07 | — | — | EP | disclosed |
| US-5567668-A | MICROCAPSULES COMPRISING COLOR-FORMING ORGANIC DYES REACTING WITH ACIDIC COMPOUND FOR FORMING COLOR | NAIGAI CARBON INK CO., LTD. (JP) | 1996-10-22 | — | — | US | disclosed |
| EP-0637513-A1 | PRESSURE- AND HEAT-SENSITIVE MULTILAYER COPYING PAPER | NAIGAI CARBON INK CO., LTD. (JP) | 1995-02-08 | — | — | EP | disclosed |