⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2895673 | 0.77 | SLC6A4 (0.30) | — | |
| SCHEMBL3883603 | 0.77 | SLC6A4 (0.30) | — | |
| SCHEMBL284166 | 0.75 | SLC6A4 (0.31) | — | |
| SCHEMBL3411687 | 0.75 | SLC6A4 (0.31) | — | |
| SCHEMBL11419696 | 0.74 | MAPT (0.33) | — | |
| Hydrogen Peroxide SCHEMBL17420814 | 0.74 | MAPT (0.30) | — | |
| Hydrochloric Acid SCHEMBL29089083 | 0.74 | — | — | |
| Water SCHEMBL28391972 | 0.73 | SLC6A4 (0.30) | — | |
| Bromide SCHEMBL28395535 | 0.73 | SLC6A4 (0.30) | — | |
| SCHEMBL23034417 | 0.72 | — | — |
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-5414067-A | Raising the temperature of the curable epoxy group polymers to speed curing | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-05-09 | — | — | US | disclosed |