⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4399686 | 0.97 | — | — | |
| SCHEMBL93840 | 0.97 | — | — | |
| SCHEMBL17737221 | 0.97 | — | — | |
| SCHEMBL17626498 | 0.94 | — | — | |
| SCHEMBL28054070 | 0.94 | — | — | |
| SCHEMBL17626450 | 0.94 | — | — | |
| SCHEMBL17626439 | 0.94 | — | — | |
| SCHEMBL28276955 | 0.87 | TSHR (0.46) | — | |
| Acetaldehyde SCHEMBL28215663 | 0.87 | TSHR (0.43) | — | |
| SCHEMBL27998823 | 0.87 | TSHR (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105462228-B | Resin combination and formed body | 旭化成株式会社 | 2017-08-15 | — | — | CN | disclosed |
| CN-105462228-A | Resin compound and moulding body | ASAHI KASEI CHEMICALS CORP | 2016-04-06 | — | — | CN | disclosed |