⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9313196 | 1.00 | — | — | |
| SCHEMBL9313200 | 1.00 | — | — | |
| SCHEMBL9352495 | 0.76 | — | — | |
| SCHEMBL9352498 | 0.76 | — | — | |
| SCHEMBL2632459 | 0.61 | — | — | |
| SCHEMBL7554618 | 0.61 | — | — | |
| SCHEMBL5048473 | 0.61 | — | — | |
| SCHEMBL2632526 | 0.61 | — | — | |
| SCHEMBL7797730 | 0.61 | — | — | |
| SCHEMBL9347808 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0400779-B1 | Biological production of novel cyclohexadienediols | MINNESOTA MINING & MFG (US) | 1994-08-17 | — | — | EP | claimed |
| EP-0400779-B1 | Biological production of novel cyclohexadienediols | MINNESOTA MINING & MFG (US) | 1994-08-17 | — | — | EP | disclosed |
| US-5284759-A | Biotransformation step employign arene-2,3-dioxygenase enzyme | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1994-02-08 | — | — | US | disclosed |
| EP-0400779-A1 | Biological production of novel cyclohexadienediols | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1990-12-05 | — | — | EP | disclosed |