⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82647 | 0.97 | — | — | |
| SCHEMBL27491306 | 0.95 | — | — | |
| SCHEMBL5375783 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL29850352 | 0.95 | — | — | |
| SCHEMBL29470047 | 0.95 | — | — | |
| SCHEMBL27622656 | 0.95 | — | — | |
| Benzene SCHEMBL28198430 | 0.91 | MGAM (0.48) | — | |
| SCHEMBL31568721 | 0.89 | GAA (0.52) | — | |
| Ethyl Acetate SCHEMBL11626551 | 0.83 | ALDH1A1 (0.54) | — | |
| Naphthalene SCHEMBL28174978 | 0.83 | GAA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0572472-B1 | COATING POWDERS | ALCAN INT LTD (CA) | 1996-07-31 | — | — | EP | disclosed |
| EP-0572472-A1 | COATING POWDERS. | ALCAN INT LTD (CA) | 1993-12-08 | — | — | EP | disclosed |
| WO-1992014792-A1 | COATING POWDERS | ALCAN INTERNATIONAL LIMITED (CA) | 1992-09-03 | — | — | WO | disclosed |