⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL536203 | 0.85 | — | — | |
| SCHEMBL5074508 | 0.82 | UGT2B7 (0.33) | — | |
| SCHEMBL10300847 | 0.79 | — | — | |
| SCHEMBL10135449 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL15559 | 0.76 | — | — | |
| SCHEMBL8895312 | 0.75 | PRKD3 (0.31) | — | |
| SCHEMBL11678356 | 0.74 | SIGMAR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8854299 | 0.74 | — | — | |
| SCHEMBL7262219 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL11682072 | 0.73 | SIGMAR1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6593419-B2 | Polycarbonateurethane made from polyisocyanate, spiro ring compound, and polycarbonate polyol; synthetic leather | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2003-07-15 | — | — | US | disclosed |