⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2950749 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL5580113 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL28298997 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL8974990 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1312263 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL49611 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL6564138 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL8636707 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL5613567 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL123171 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5096644-A | Process for making a filled metathesis polymer article | HERCULES INCORPORATED (US) | 1992-03-17 | — | — | US | disclosed |
| EP-0349855-A2 | Molded article of metathesis polymerized polymer containing fillers and process for its preparation | HERCULES INCORPORATED (US) | 1990-01-10 | — | — | EP | disclosed |