⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1076387 | 0.89 | — | — | |
| Water SCHEMBL28396886 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL16649758 | 0.88 | — | — | |
| SCHEMBL7757806 | 0.84 | PKM (0.32) | — | |
| SCHEMBL2408958 | 0.84 | — | — | |
| SCHEMBL2575222 | 0.82 | — | — | |
| SCHEMBL6690196 | 0.81 | HRH4 (0.36) | — | |
| SCHEMBL5134229 | 0.81 | PKM (0.31) | — | |
| Urea SCHEMBL28872851 | 0.80 | — | — | |
| Acetic Acid SCHEMBL29164450 | 0.78 | KDM4E (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0340928-B1 | Positively chargeable toner | SHIKOKU CHEM (JP) | 1994-06-15 | — | — | EP | claimed |