⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18092800 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL811516 | 0.88 | — | — | |
| SCHEMBL4485343 | 0.87 | GPR84 (0.30) | — | |
| SCHEMBL4493908 | 0.86 | ABCC9 (0.30) | — | |
| SCHEMBL4485361 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL812485 | 0.82 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL811983 | 0.80 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL812867 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL811732 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL6047483 | 0.80 | CES2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2048194-A1 | THERMOPLASTIC RESIN COMPOSITION FOR SOLAR CELL SEALING, SHEET FOR SOLAR CELL SEALING, AND SOLAR CELL | Mitsui Chemicals, Inc. (JP) | 2009-04-15 | — | — | EP | disclosed |