⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30699313 | 0.83 | PDE3B (0.38) | — | |
| SCHEMBL4303270 | 0.83 | — | — | |
| SCHEMBL4300317 | 0.83 | PDE3B (0.38) | — | |
| SCHEMBL13664504 | 0.81 | — | — | |
| SCHEMBL4302103 | 0.75 | TUBB1 (0.33) | — | |
| SCHEMBL29150207 | 0.74 | PDE3B (0.45) | — | |
| SCHEMBL2626383 | 0.71 | TUBB1 (0.41) | — | |
| SCHEMBL13664106 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL13664220 | 0.68 | TUBB1 (0.33) | — | |
| SCHEMBL4306354 | 0.68 | PDE1A (0.36) | — |
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-20090270614-A1 | OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME | NAGASE & CO., LTD. (JP) | 2009-10-29 | — | — | US | disclosed |