⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20733705 | 0.78 | — | — | |
| SCHEMBL7164477 | 0.72 | — | — | |
| SCHEMBL4454381 | 0.71 | — | — | |
| SCHEMBL8626546 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL11069494 | 0.71 | IDO1 (0.37) | — | |
| SCHEMBL11121532 | 0.70 | — | — | |
| SCHEMBL11081057 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2986586 | 0.70 | TAAR1 (0.43) | — | |
| SCHEMBL16454696 | 0.67 | NR5A1 (0.38) | — | |
| SCHEMBL9433222 | 0.67 | SLC6A2 (0.44) | — |
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-4432786-A | Thienylmethoxyiminoalkyl cyclohexanedione herbicides | CHEVRON RESEARCH COMPANY (US) | 1984-02-21 | — | — | US | disclosed |