⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL730148 | 0.81 | ACHE (0.35) | — | |
| SCHEMBL448902 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL9324580 | 0.70 | — | — | |
| SCHEMBL728463 | 0.69 | — | — | |
| SCHEMBL8987726 | 0.68 | ACHE (0.35) | — | |
| SCHEMBL6036730 | 0.67 | IDO1 (0.33) | — | |
| SCHEMBL5010137 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL28111918 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL9323557 | 0.65 | — | — | |
| SCHEMBL9325410 | 0.65 | IDO1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5332801-A | For blends | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1994-07-26 | — | — | US | disclosed |
| US-5120800-A | Boriding with borane compound having at least one boron-hydrogen bond and oxidizing | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0451819-A2 | Process for preparing modified-polyphenylene ether | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1991-10-16 | — | — | EP | disclosed |