⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13703390 | 0.72 | — | — | |
| SCHEMBL10191819 | 0.72 | — | — | |
| SCHEMBL3941661 | 0.71 | NPC1 (0.34) | — | |
| SCHEMBL9667467 | 0.71 | — | — | |
| SCHEMBL11162106 | 0.69 | — | — | |
| SCHEMBL10740059 | 0.68 | — | — | |
| SCHEMBL7954257 | 0.67 | — | — | |
| SCHEMBL7995431 | 0.67 | — | — | |
| SCHEMBL13274609 | 0.67 | — | — | |
| SCHEMBL5016605 | 0.67 | APLNR (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5922644-A | POSTEMERGENCE HERBICIDES EFFECTIVE AGAINST A BROAD RANGE OF WEED SPECIES; MAY BE USED AS SELECTIVE HERBICIDES IN SOYA, SUGAR BEET, AND OIL-SEED RAPE CROPS | ZENECA LIMITED (GB) | 1999-07-13 | — | — | US | disclosed |
| EP-0625873-B1 | PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES | ZENECA LTD (GB) | 1997-11-05 | — | — | EP | disclosed |
| US-5393732-A | Triazole phosphoric acid derivatives and their use as herbicides | ZENECA LIMITED (GB) | 1995-02-28 | — | — | US | disclosed |
| EP-0625873-A1 | PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES | ZENECA LIMITED (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993015610-A1 | PHOSPHONIC ACID DERIVATIVES CONTAINING A TRIAZOLE RING AS HERBICIDES | ZENECA LIMITED (GB) | 1993-08-19 | — | — | WO | disclosed |
| EP-0174769-B1 | ANTIFUNGAL AZOLE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-11-21 | — | — | EP | disclosed |
| US-4925863-A | 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-15 | — | — | US | disclosed |
| EP-0174769-A1 | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-19 | — | — | EP | disclosed |