⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10660110 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL8412790 | 0.75 | — | — | |
| SCHEMBL9517574 | 0.69 | — | — | |
| SCHEMBL18274725 | 0.69 | — | — | |
| SCHEMBL18274714 | 0.69 | — | — | |
| SCHEMBL4879848 | 0.68 | ADRA1D (0.35) | — | |
| SCHEMBL18274686 | 0.68 | — | — | |
| Bromide SCHEMBL27629725 | 0.67 | ADRA1D (0.34) | — | |
| Iodide SCHEMBL11439990 | 0.67 | ADRA1D (0.34) | — | |
| Hydrochloric Acid SCHEMBL27639967 | 0.67 | DRD2 (0.34) | — |
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-1075458-B1 | PROCESS FOR PURIFYING ISOPHTHALIC ACID BY CRYSTALLIZATION | GTC TECHNOLOGY INC (US) | 2003-06-18 | — | — | EP | claimed |