⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9135610 | 0.85 | — | — | |
| SCHEMBL8059589 | 0.84 | — | — | |
| SCHEMBL6569008 | 0.78 | — | — | |
| SCHEMBL8062057 | 0.74 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL7952963 | 0.71 | MAOB (0.43) | — | |
| SCHEMBL9514790 | 0.70 | ENPP2 (0.42) | — | |
| SCHEMBL6570415 | 0.70 | — | — | |
| SCHEMBL455762 | 0.69 | — | — | |
| SCHEMBL9137280 | 0.69 | — | — | |
| SCHEMBL28097547 | 0.68 | IDO1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015412-A1 | SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES | BAYER AG (DE) | 2000-07-05 | — | — | EP | disclosed |
| EP-1015420-A1 | SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES | BAYER AG (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999012892-A1 | SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |
| WO-1999012885-A1 | SUBSTITUTED ALKENOIC ACIDS AND THEIR DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-18 | — | — | WO | disclosed |
| US-5446067-A | For treatment of crops, seeds, soils | BASF AKTIENGESELLSCHAFT (DE) | 1995-08-29 | — | — | US | disclosed |