⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27452303 | 0.97 | — | — | |
| SCHEMBL11221613 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL5164617 | 0.64 | — | — | |
| SCHEMBL28757892 | 0.63 | — | — | |
| SCHEMBL8676701 | 0.62 | — | — | |
| SCHEMBL28246901 | 0.62 | — | — | |
| SCHEMBL28393476 | 0.62 | — | — | |
| SCHEMBL8766515 | 0.62 | — | — | |
| SCHEMBL11777775 | 0.60 | — | — | |
| Methylamine SCHEMBL28402560 | 0.60 | TSHR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101511944-B | Thermoplastic resin composition and molded article thereof | TORAY INDUSTRIES | 2011-08-24 | — | — | CN | disclosed |
| CN-101511944-A | Thermoplastic resin composition and molded article thereof | TORAY INDUSTRIES (JP) | 2009-08-19 | — | — | CN | disclosed |