⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1128221 | 1.00 | — | — | |
| SCHEMBL29367621 | 1.00 | — | — | |
| SCHEMBL15338 | 1.00 | — | — | |
| Water SCHEMBL2838869 | 0.87 | — | — | |
| SCHEMBL1861935 | 0.87 | — | — | |
| SCHEMBL10531457 | 0.87 | — | — | |
| Phosphine SCHEMBL25389288 | 0.87 | — | — | |
| Water SCHEMBL62334 | 0.87 | — | — | |
| SCHEMBL9475412 | 0.87 | — | — | |
| SCHEMBL1720794 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101076403-A | honeycomb structure | IBIDEN CO LTD (JP) | 2007-11-21 | — | — | CN | disclosed |