⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4594176 | 0.90 | — | — | |
| SCHEMBL3619566 | 0.87 | TRPV4 (0.31) | — | |
| SCHEMBL13439997 | 0.85 | TRPV4 (0.30) | — | |
| SCHEMBL9618395 | 0.81 | — | — | |
| SCHEMBL13407366 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL4594106 | 0.78 | MEN1 (0.36) | — | |
| SCHEMBL7869288 | 0.76 | TRPV4 (0.38) | — | |
| SCHEMBL4594009 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL7861699 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL11786000 | 0.74 | — | — |
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-20030018204-A1 | Halogen-containing aromatic compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2003-01-23 | — | — | US | claimed |
| EP-1462436-B1 | Halogen-containing aromatic compound | NIPPON CATALYTIC CHEM IND (JP) | 2008-01-02 | — | — | EP | disclosed |
| US-6916959-B2 | Halogen-containing aromatic compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2005-07-12 | — | — | US | disclosed |
| EP-1462436-A1 | Halogen-containing aromatic compound | Nippon Shokubai Co., Ltd. (JP) | 2004-09-29 | — | — | EP | disclosed |
| US-20030018204-A1 | Halogen-containing aromatic compound | NIPPON SHOKUBAI CO., LTD. (JP) | 2003-01-23 | — | — | US | disclosed |
| EP-1256564-A1 | Halogen-containing aromatic compound | Nippon Shokubai Co., Ltd. (JP) | 2002-11-13 | — | — | EP | disclosed |