⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5268021 | 0.91 | S1PR2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL10815280 | 0.89 | S1PR2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL2116887 | 0.89 | S1PR2 (0.47) | — | |
| SCHEMBL5520846 | 0.85 | — | — | |
| SCHEMBL259403 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL7819604 | 0.78 | — | — | |
| SCHEMBL574671 | 0.76 | — | — | |
| SCHEMBL26661845 | 0.76 | GSR (0.41) | — | |
| SCHEMBL13195835 | 0.76 | — | — | |
| SCHEMBL272998 | 0.76 | OPRM1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1180933-B1 | COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL | ILLOVO SUGAR LTD (ZA) | 2006-11-15 | — | — | EP | disclosed |
| EP-1180933-A4 | COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL | ILLOVO SUGAR LTD (ZA) | 2006-01-04 | — | — | EP | disclosed |
| CN-1221172-C | Compsns. and process for nematode control | ILLOVO SUGAR LTD (ZA) | 2005-10-05 | — | — | CN | disclosed |
| US-6720352-B1 | HETEROCYCLIC ALDEHYDES; ISOTHIOCYANATES; FURFURAL; METHYL ISOTHIOCYANTATE; ALLYL ISOTHIOCYANATE; CROPS | ILLOVO SUGAR LIMITED (ZA) | 2004-04-13 | — | — | US | disclosed |
| CN-1356871-A | Compositions and methods for controlling nematodes | ILLOVO SUGAR LTD (ZA) | 2002-07-03 | — | — | CN | disclosed |
| EP-1180933-A1 | COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL | Illovo Sugar Limited (ZA) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000067577-A1 | COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL | ILLOVO SUGAR LIMITED (ZA) | 2000-11-16 | — | — | WO | disclosed |
| CN-1226243-A | Benzodihydropyran derivative | NISSAN CHEMICAL IND LTD (JP) | 1999-08-18 | — | — | CN | disclosed |