⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5963338 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL6909202 | 0.81 | — | — | |
| SCHEMBL306061 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL11783342 | 0.74 | OPRM1 (0.34) | — | |
| SCHEMBL893441 | 0.72 | MEN1 (0.30) | — | |
| SCHEMBL8976924 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL15552969 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL4619172 | 0.69 | — | — | |
| SCHEMBL10412582 | 0.68 | CA1 (0.31) | — | |
| SCHEMBL18575620 | 0.68 | MEN1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2106413-A1 | THERMALLY SENSITIVE POLYMERIC DYE TRANSFER INHIBITOR | BASF SE (DE) | 2009-10-07 | — | — | EP | disclosed |
| US-20080280759-A1 | 6-(2-Fluoro-4-Alkoxyphenyl) Triazolopyrimidines, Their Preparation, Their Use For Controlling Harmful Fungi, and Compositions Comprising Them | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-13 | — | — | US | disclosed |
| WO-2008077910-A1 | THERMALLY SENSITIVE POLYMERIC DYE TRANSFER INHIBITOR | BASF SE (DE) | 2008-07-03 | — | — | WO | disclosed |