⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11909862 | 0.85 | — | — | |
| SCHEMBL5718171 | 0.84 | PPM1B (0.38) | — | |
| SCHEMBL8836695 | 0.84 | PPM1B (0.38) | — | |
| SCHEMBL4386205 | 0.84 | PPM1B (0.38) | — | |
| SCHEMBL8102462 | 0.84 | PPM1B (0.38) | — | |
| SCHEMBL11909776 | 0.84 | — | — | |
| SCHEMBL11909022 | 0.84 | — | — | |
| SCHEMBL11908712 | 0.82 | PPM1B (0.32) | — | |
| SCHEMBL11907921 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL23264992 | 0.82 | CYP1A2 (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 |
|---|---|---|---|---|---|---|---|
| US-8450440-B2 | Method for purifying polymer and polymer | MITSUI CHEMICALS, INC. (JP) | 2013-05-28 | — | — | US | disclosed |
| US-20120208976-A1 | METHOD FOR PURIFYING POLYMER AND POLYMER | MITSUI CHEMICALS, INC (JP) | 2012-08-16 | — | — | US | disclosed |