⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5909565 | 0.79 | PTPN1 (0.36) | — | |
| SCHEMBL10520682 | 0.74 | — | — | |
| SCHEMBL5705603 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL7776273 | 0.70 | DPP4 (0.34) | — | |
| SCHEMBL2152238 | 0.67 | PTGS1 (0.40) | — | |
| SCHEMBL21981533 | 0.66 | LMNA (0.35) | — | |
| SCHEMBL17464907 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL9236641 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL27896224 | 0.64 | DPP4 (0.42) | — | |
| SCHEMBL7596325 | 0.63 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| US-6300462-B1 | Process for preparing poly(ethylene-2,6-naphthalene dicarboxylate | EASTMAN CHEMICAL COMPANY | 2001-10-09 | — | — | US | disclosed |