⚠ 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 | |
|---|---|---|---|---|
| Methylisothiocyanate SCHEMBL27880816 | 0.83 | — | — | |
| Methylisothiocyanate SCHEMBL3152 | 0.83 | — | — | |
| Methylisothiocyanate SCHEMBL28258797 | 0.79 | — | — | |
| Methylisothiocyanate SCHEMBL29112077 | 0.79 | — | — | |
| SCHEMBL28269061 | 0.74 | — | — | |
| Methylisothiocyanate SCHEMBL8675064 | 0.72 | — | — | |
| Benzene SCHEMBL28224994 | 0.72 | ALDH1A1 (0.75) | — | |
| SCHEMBL8092473 | 0.68 | — | — | |
| Methylisothiocyanate SCHEMBL28734341 | 0.65 | — | — | |
| Methane SCHEMBL27939306 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004067552-A2 | EMULSIFIED SOIL BIOCIDES USED IN DRIP IRRIGATION SYSTEMS | TRICAL INC. (US) | 2004-08-12 | — | — | WO | claimed |
| US-20030219355-A1 | Emulsified soil biocides used in drip irrigation systems | TRICAL, INC. | 2003-11-27 | — | — | US | claimed |
| US-6923937-B2 | Emulsified soil biocides used in drip irrigation systems | TRICAL, INC. (US) | 2005-08-02 | — | — | US | disclosed |
| WO-2004067552-B1 | EMULSIFIED SOIL BIOCIDES USED IN DRIP IRRIGATION SYSTEMS | TRICAL INC (US) | 2004-12-16 | — | — | WO | disclosed |
| WO-2004067552-A3 | EMULSIFIED SOIL BIOCIDES USED IN DRIP IRRIGATION SYSTEMS | TRICAL INC (US) | 2004-10-21 | — | — | WO | disclosed |
| WO-2004067552-A2 | EMULSIFIED SOIL BIOCIDES USED IN DRIP IRRIGATION SYSTEMS | TRICAL INC. (US) | 2004-08-12 | — | — | WO | disclosed |
| US-20030219355-A1 | Emulsified soil biocides used in drip irrigation systems | TRICAL, INC. | 2003-11-27 | — | — | US | disclosed |