⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8173093 | 1.00 | — | — | |
| SCHEMBL8173483 | 0.71 | — | — | |
| SCHEMBL8173487 | 0.71 | — | — | |
| SCHEMBL8179080 | 0.69 | — | — | |
| SCHEMBL1078946 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL60898 | 0.64 | — | — | |
| Water SCHEMBL27883112 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL11849942 | 0.62 | — | — | |
| Propane SCHEMBL28776268 | 0.62 | — | — | |
| SCHEMBL4586158 | 0.62 | — | — |
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-6028033-A | FOR CONTROLLING UNDESIRED VEGETATION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-22 | — | — | US | disclosed |