⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6820203 | 0.69 | — | — | |
| SCHEMBL3388256 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL6819260 | 0.67 | NOTUM (0.33) | — | |
| SCHEMBL1538519 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL9309712 | 0.64 | — | — | |
| SCHEMBL11757104 | 0.64 | — | — | |
| SCHEMBL9309096 | 0.64 | — | — | |
| SCHEMBL6358037 | 0.61 | — | — | |
| SCHEMBL11757248 | 0.61 | — | — | |
| SCHEMBL28889057 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0995734-B1 | Method for production of halogen-containing aromatic compound | NIPPON CATALYTIC CHEM IND (JP) | 2004-05-12 | — | — | EP | disclosed |
| US-6433231-B2 | BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-08-13 | — | — | US | disclosed |
| US-20010045350-A1 | Method for production of halogen-containing aromatic compound | NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION | 2001-11-29 | — | — | US | disclosed |
| US-6288290-B1 | BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS | NIPPON SHOKUBAI, CO., LTD. (JP) | 2001-09-11 | — | — | US | disclosed |
| EP-0995734-A1 | Method for production of halogen-containing aromatic compound | Nippon Shokubai Co., Ltd. (JP) | 2000-04-26 | — | — | EP | disclosed |