⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250606 | 0.90 | — | — | |
| Fluoride SCHEMBL8861324 | 0.87 | — | — | |
| Chloromethane SCHEMBL29045305 | 0.84 | — | — | |
| SCHEMBL8648168 | 0.73 | — | — | |
| Benzene SCHEMBL5697712 | 0.65 | TDP1 (0.33) | — | |
| SCHEMBL3481826 | 0.65 | — | — | |
| Benzene SCHEMBL728398 | 0.62 | TDP1 (0.31) | — | |
| SCHEMBL170292 | 0.60 | — | — | |
| Chloromethane SCHEMBL11675613 | 0.60 | — | — | |
| Benzene SCHEMBL29028947 | 0.60 | — | — |
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-1114734-A1 | RESIN COMPOSITION FOR INK-JET RECORDING SHEET AND RECORDING SHEET MADE WITH THE SAME | DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) | 2001-07-11 | — | — | EP | disclosed |