⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25947230 | 0.82 | — | — | |
| SCHEMBL18040900 | 0.82 | — | — | |
| Iodide SCHEMBL28716865 | 0.82 | — | — | |
| SCHEMBL42922 | 0.82 | — | — | |
| SCHEMBL54993 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL23532614 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL18632678 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1194921 | 0.79 | — | — | |
| Fluoride SCHEMBL9160421 | 0.79 | — | — | |
| Alcohol SCHEMBL22581582 | 0.74 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6441174-B1 | REACTING PERYLENE-3,4,9,10-TETRACARBOXIMIDE OR DERIVATIVES WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL)PERYLENE-3,4,9,10-TETRACARBOXIMIDE, WHICH FURTHER REACTS WITH A PRECURSOR OF ORGANIC REDICALS | CIBA SPECIALTY CHEMICALS CORPORATION | 2002-08-27 | — | — | US | disclosed |