⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9641068 | 1.00 | — | — | |
| SCHEMBL9640345 | 0.81 | — | — | |
| SCHEMBL9640341 | 0.81 | — | — | |
| SCHEMBL11014084 | 0.81 | — | — | |
| SCHEMBL9640352 | 0.74 | — | — | |
| SCHEMBL9640357 | 0.74 | — | — | |
| SCHEMBL9639867 | 0.74 | — | — | |
| Chloroacetic Acid SCHEMBL10935751 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL10493780 | 0.69 | — | — | |
| SCHEMBL10966376 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5117053-A | Intermediate for | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1992-05-26 | — | — | US | disclosed |
| US-5061731-A | Agricultural; horticultural | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1991-10-29 | — | — | US | disclosed |