⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7624224 | 0.63 | — | — | |
| SCHEMBL8892390 | 0.63 | — | — | |
| SCHEMBL5100010 | 0.60 | — | — | |
| SCHEMBL18327710 | 0.58 | — | — | |
| SCHEMBL28176115 | 0.56 | — | — | |
| SCHEMBL10489437 | 0.56 | — | — | |
| SCHEMBL8892384 | 0.54 | — | — | |
| SCHEMBL20707948 | 0.54 | — | — | |
| SCHEMBL8798916 | 0.54 | — | — | |
| SCHEMBL12920423 | 0.54 | ALDH1A1 (0.32) | — |
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-7173157-B2 | Method for producing an allyl compound | MITSUBISHI CHEMICAL CORPORATION (JP) | 2007-02-06 | — | — | US | disclosed |
| US-20050075518-A1 | Method for producing allyl compound, and allyl compound produced thereby | MITSUBISHI CHEMICAL CORPORATION (JP) | 2005-04-07 | — | — | US | disclosed |