⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2776743 | 0.70 | SMPD3 (0.41) | — | |
| SCHEMBL7329442 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL18989643 | 0.61 | — | — | |
| SCHEMBL17361766 | 0.59 | ABCB1 (0.43) | — | |
| SCHEMBL7426721 | 0.59 | — | — | |
| SCHEMBL2778058 | 0.58 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL30558491 | 0.58 | ABCB1 (0.42) | — | |
| SCHEMBL3945997 | 0.58 | — | — | |
| SCHEMBL18587957 | 0.58 | ESR1 (0.41) | — | |
| SCHEMBL9978972 | 0.57 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767667-B2 | Pesticidal heterocycles | FMC CORPORATION (US) | 2010-08-03 | — | — | US | disclosed |
| US-20090012070-A1 | PESTICIDAL HETEROCYCLES | BAYER CROPSCIENCE AG (DE) | 2009-01-08 | — | — | US | disclosed |
| US-7417057-B2 | Pesticidal heterocycles | BAYER CROPSCIENCE AG (DE) | 2008-08-26 | — | — | US | disclosed |
| EP-1499609-A4 | PESTICIDAL HETEROCYCLES | FMC CORP (US) | 2005-09-14 | — | — | EP | disclosed |
| US-20050143418-A1 | Pesticidal heterocycles | FMC CORPORATION | 2005-06-30 | — | — | US | disclosed |
| EP-1499609-A2 | PESTICIDAL HETEROCYCLES | FMC CORPORATION (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003092374-A2 | PESTICIDAL HETEROCYCLES | FMC CORPORATION (US) | 2003-11-13 | — | — | WO | disclosed |