⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8105237 | 0.85 | NR1H2 (0.41) | — | |
| SCHEMBL8102959 | 0.83 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL8098460 | 0.83 | NTMT1 (0.35) | — | |
| SCHEMBL8098702 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL8099147 | 0.82 | POLB (0.41) | — | |
| SCHEMBL8105978 | 0.82 | TP53 (0.42) | — | |
| SCHEMBL8097382 | 0.82 | FAAH (0.32) | — | |
| SCHEMBL8096915 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL8097540 | 0.81 | POLB (0.36) | — | |
| SCHEMBL8097004 | 0.81 | LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0672038-B1 | HERBICIDES | ZENECA LTD (GB) | 2000-01-19 | — | — | EP | disclosed |
| US-5856273-A | CONTROLLING WEEDS | ZENECA LIMITED (GB) | 1999-01-05 | — | — | US | disclosed |
| EP-0672038-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994013652-A1 | HERBICIDES | ZENECA LIMITED (GB) | 1994-06-23 | — | — | WO | disclosed |