⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16959022 | 0.81 | NQO1 (0.42) | — | |
| SCHEMBL455748 | 0.81 | PTGS2 (0.39) | — | |
| SCHEMBL17046417 | 0.78 | CA12 (0.38) | — | |
| SCHEMBL16956370 | 0.77 | CYP4F2 (0.44) | — | |
| SCHEMBL297355 | 0.77 | TP53 (0.36) | — | |
| SCHEMBL16960991 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL16959508 | 0.76 | — | — | |
| SCHEMBL16961925 | 0.76 | CA12 (0.41) | — | |
| SCHEMBL16950536 | 0.75 | RXRA (0.32) | — | |
| SCHEMBL16952993 | 0.75 | ALDH1A1 (0.33) | — |
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-0492999-A2 | Copolyester and hollow container and oriented film comprising the copolyester | Mitsubishi Chemical Corporation (JP) | 1992-07-01 | — | — | EP | disclosed |