⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295590 | 0.77 | — | — | |
| SCHEMBL1630423 | 0.75 | — | — | |
| SCHEMBL49115 | 0.73 | — | — | |
| SCHEMBL1245661 | 0.72 | — | — | |
| SCHEMBL28906182 | 0.72 | — | — | |
| SCHEMBL26127187 | 0.72 | — | — | |
| SCHEMBL21045072 | 0.69 | — | — | |
| SCHEMBL486244 | 0.69 | — | — | |
| SCHEMBL11764369 | 0.69 | — | — | |
| SCHEMBL3468720 | 0.68 | — | — |
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-111410745-A | Ultra-low temperature-resistant epoxidized silicone rubber and preparation method thereof | 北京化工大学 | 2020-07-14 | — | — | CN | disclosed |