⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20522336 | 0.86 | ALDH1A1 (0.72) | — | |
| SCHEMBL282603 | 0.83 | POLB (0.80) | — | |
| SCHEMBL11870468 | 0.80 | — | — | |
| SCHEMBL14975757 | 0.80 | ALDH1A1 (0.95) | — | |
| SCHEMBL14977428 | 0.80 | ALDH1A1 (0.86) | — | |
| SCHEMBL2208668 | 0.78 | — | — | |
| SCHEMBL14986945 | 0.78 | ALDH1A1 (1.00) | — | |
| SCHEMBL28349039 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL10950901 | 0.76 | — | — | |
| SCHEMBL11233890 | 0.76 | — | — |
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-3951640-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |