⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9786339 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL2300964 | 0.75 | — | — | |
| SCHEMBL635741 | 0.71 | — | — | |
| SCHEMBL9798387 | 0.71 | — | — | |
| SCHEMBL12538862 | 0.71 | — | — | |
| SCHEMBL2764073 | 0.71 | MEN1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1775135 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1774037 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7458486 | 0.69 | — | — | |
| SCHEMBL8743382 | 0.69 | LMNA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111278619-A | Release agent for molding vulcanized rubber | 第一工业制药株式会社 | 2020-06-12 | — | — | CN | disclosed |