⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9513593 | 0.83 | — | — | |
| SCHEMBL28915465 | 0.81 | — | — | |
| SCHEMBL27625218 | 0.78 | — | — | |
| SCHEMBL20007397 | 0.76 | — | — | |
| SCHEMBL23121504 | 0.70 | — | — | |
| SCHEMBL9513476 | 0.70 | — | — | |
| SCHEMBL27487975 | 0.69 | — | — | |
| SCHEMBL11021106 | 0.69 | — | — | |
| SCHEMBL13462501 | 0.67 | — | — | |
| SCHEMBL1637783 | 0.67 | — | — |
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-0427929-A2 | Heat-sensitive recording material | MITSUBISHI PAPER MILLS, LTD. (JP) | 1991-05-22 | — | — | EP | disclosed |