⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8940912 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL8303291 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL8402408 | 0.89 | — | — | |
| SCHEMBL6724234 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL8308195 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL8307889 | 0.85 | GAA (0.31) | — | |
| SCHEMBL8308183 | 0.84 | NPC1 (0.31) | — | |
| SCHEMBL8400385 | 0.83 | — | — | |
| SCHEMBL8400565 | 0.82 | LMNA (0.31) | — | |
| SCHEMBL8940999 | 0.80 | ALDH1A1 (0.32) | — |
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-5863866-A | HERBICIDES TO KILL WEEDS BUT NOT CROPS | IDEMITSU KOSAN CO., LTD. (JP) | 1999-01-26 | — | — | US | disclosed |
| EP-0819691-A1 | PYRAZOLE DERIVATIVES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-01-21 | — | — | EP | disclosed |