⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21112541 | 0.87 | — | — | |
| SCHEMBL30825051 | 0.86 | — | — | |
| SCHEMBL28555861 | 0.83 | — | — | |
| SCHEMBL12404450 | 0.80 | — | — | |
| SCHEMBL30825054 | 0.78 | — | — | |
| SCHEMBL31197300 | 0.77 | — | — | |
| SCHEMBL3682150 | 0.77 | CA4 (0.32) | — | |
| SCHEMBL28480040 | 0.76 | — | — | |
| SCHEMBL21112785 | 0.76 | — | — | |
| SCHEMBL28939176 | 0.76 | — | — |
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-3507104-B1 | PRODUCTION OF CIS-1,4-POLYDIENES WITH MULTIPLE SILANE FUNCTIONAL GROUPS PREPARED BYIN-SITU | BRIDGESTONE CORP (JP) | 2024-03-27 | — | — | EP | disclosed |