⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13931347 | 1.00 | — | — | |
| SCHEMBL16850415 | 0.79 | — | — | |
| SCHEMBL16819067 | 0.75 | — | — | |
| SCHEMBL16819068 | 0.75 | — | — | |
| SCHEMBL16848463 | 0.75 | — | — | |
| SCHEMBL12323222 | 0.71 | NOS1 (0.33) | — | |
| SCHEMBL19880337 | 0.71 | NOS1 (0.31) | — | |
| SCHEMBL16848452 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL18804200 | 0.71 | — | — | |
| SCHEMBL18544149 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801798-A | High-chroma water-based polyurethane resin, manufacturing method thereof and application of high-chroma water-based polyurethane resin in suede composite material | 财团法人纺织产业综合研究所 | 2016-07-27 | — | — | CN | disclosed |