⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31252729 | 0.89 | — | — | |
| SCHEMBL1288 | 0.89 | — | — | |
| SCHEMBL10429612 | 0.80 | — | — | |
| Phosphine SCHEMBL1943939 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL106431 | 0.80 | — | — | |
| Phosphine SCHEMBL8944186 | 0.80 | — | — | |
| SCHEMBL2132857 | 0.80 | — | — | |
| SCHEMBL21877198 | 0.80 | — | — | |
| SCHEMBL1005186 | 0.80 | — | — | |
| SCHEMBL21630983 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5154388-A | — | — | None | — | — | JP | disclosed |
| CN-102895970-B | Method for preparing Pd/C catalyst by using organic aerogel supported Pd compound and Pd/C catalyst | LANCEE NEW MATERIAL TECHNOLOGY SHANGHAI CO LTD | 2014-07-09 | — | — | CN | disclosed |
| CN-102895970-A | Method for preparing Pd/C catalyst by using organic aerogel supported Pd compound and Pd/C catalyst | LANCEE NEW MATERIAL TECHNOLOGY SHANGHAI CO LTD | 2013-01-30 | — | — | CN | disclosed |