⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27701961 | 0.86 | — | — | |
| SCHEMBL1117697 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL5594211 | 0.68 | — | — | |
| SCHEMBL27209675 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL19557111 | 0.67 | — | — | |
| Water SCHEMBL27533325 | 0.67 | TP53 (0.31) | — | |
| Hydrogen Sulfide SCHEMBL27531910 | 0.67 | TP53 (0.31) | — | |
| Benzene SCHEMBL27686426 | 0.65 | — | — | |
| Water SCHEMBL27651933 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28600502 | 0.65 | — | — |
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-9809525-B2 | Production of terephthalic acid via reductive coupling of propiolic acid or propiolic acid derivatives | THE PROCTER & GAMBLE COMPANY (US) | 2017-11-07 | — | — | US | disclosed |
| EP-1241170-A2 | Pyrazolopyrimidine derivatives | Pfizer Limited (GB) | 2002-09-18 | — | — | EP | disclosed |