⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263226 | 0.79 | — | — | |
| SCHEMBL9586177 | 0.79 | — | — | |
| SCHEMBL394425 | 0.79 | RIPK1 (0.33) | — | |
| SCHEMBL2698490 | 0.76 | SLC6A2 (0.30) | — | |
| SCHEMBL29020377 | 0.76 | SLC6A2 (0.30) | — | |
| SCHEMBL508518 | 0.75 | — | — | |
| SCHEMBL3450884 | 0.75 | HTR2A (0.30) | — | |
| SCHEMBL2528409 | 0.75 | MAOA (0.31) | — | |
| SCHEMBL19025852 | 0.74 | — | — | |
| SCHEMBL6893898 | 0.74 | — | — |
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-5120853-A | Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-06-09 | — | — | US | disclosed |