⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12281776 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL17390324 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL2090938 | 0.75 | — | — | |
| SCHEMBL4278701 | 0.75 | — | — | |
| SCHEMBL8660397 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL619720 | 0.74 | — | — | |
| SCHEMBL4592237 | 0.73 | — | — | |
| SCHEMBL13405339 | 0.71 | — | — | |
| SCHEMBL9064097 | 0.70 | CA1 (0.55) | — | |
| SCHEMBL12958005 | 0.70 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4341700-A | Monoazo compounds having a substituted 1,2,3-triazolyl-5 diazo component radical and an unsubstituted or substituted 1,4-phenylene coupling component radical | SANDOZ LTD. (CH) | 1982-07-27 | — | — | US | claimed |
| US-4307015-A | DISPERSE DYES | SANDOZ LTD. (CH) | 1981-12-22 | — | — | US | claimed |
| JP-4128279-A | — | — | None | — | — | JP | disclosed |
| JP-H04128279-A | GLYCIDYL ETHER COMPOUND CONTAINING TRIPLE BOND | NIPPON PAINT CO LTD | 1992-04-28 | — | — | JP | disclosed |
| US-4352871-A | Polymeric hydroxamic acid polyvalent metal salt interlayer for photographic diffusion transfer products | POLAROID CORPORATION (US) | 1982-10-05 | — | — | US | disclosed |