⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28040840 | 0.82 | HDAC4 (0.36) | — | |
| SCHEMBL28040568 | 0.73 | — | — | |
| SCHEMBL28040794 | 0.73 | — | — | |
| SCHEMBL28040361 | 0.69 | — | — | |
| SCHEMBL28040816 | 0.68 | — | — | |
| SCHEMBL28040787 | 0.68 | — | — | |
| Methylamine SCHEMBL28040721 | 0.68 | NOS3 (0.31) | — | |
| SCHEMBL338867 | 0.66 | GABRA1 (0.46) | — | |
| SCHEMBL3695782 | 0.66 | GABRA1 (0.34) | — | |
| Methylamine SCHEMBL27942526 | 0.66 | ESR1 (0.32) | — |
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-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |