⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL573159 | 0.72 | — | — | |
| Methane SCHEMBL4636650 | 0.69 | — | — | |
| SCHEMBL6124940 | 0.69 | — | — | |
| Dimethylamine SCHEMBL3528326 | 0.68 | — | — | |
| SCHEMBL28685706 | 0.67 | — | — | |
| SCHEMBL9115546 | 0.67 | — | — | |
| Chloromethane SCHEMBL4098077 | 0.66 | — | — | |
| SCHEMBL9116503 | 0.64 | — | — | |
| SCHEMBL7205598 | 0.64 | — | — | |
| SCHEMBL10299727 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8071650-B2 | Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea | PACIFIC CORPORATION (KR) | 2011-12-06 | — | — | US | disclosed |
| US-20080064687-A1 | Novel thiourea derivatives and the pharmaceutical compositions containing the same | SUH YOUNG G | 2008-03-13 | — | — | US | disclosed |
| US-20030153596-A1 | Novel thiourea derivatives and the pharmaceutical compositions containing the same | PACIFIC CORPORATION (KR) | 2003-08-14 | — | — | US | disclosed |
| US-4619689-A | Diphenyl ether derivatives and herbicides containing same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1986-10-28 | — | — | US | disclosed |
| US-4566897-A | Diphenyl ether derivatives and herbicides containing same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1986-01-28 | — | — | US | disclosed |
| US-4515628-A | PRE- AND POSTEMERGENCE | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-05-07 | — | — | US | disclosed |