⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL483850 | 0.90 | — | — | |
| SCHEMBL1073391 | 0.70 | CYP2D6 (0.33) | — | |
| SCHEMBL6934117 | 0.69 | CYP2D6 (0.33) | — | |
| SCHEMBL5659747 | 0.68 | — | — | |
| SCHEMBL471895 | 0.67 | METAP2 (0.30) | — | |
| SCHEMBL1083352 | 0.67 | GAA (0.31) | — | |
| SCHEMBL8375859 | 0.67 | CYP2D6 (0.33) | — | |
| SCHEMBL11705588 | 0.66 | CYP1A2 (0.33) | — | |
| SCHEMBL21800804 | 0.65 | LCK (0.36) | — | |
| SCHEMBL8899905 | 0.65 | PTPN1 (0.35) | — |
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-5602199-A | Process for producing polyesters | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-02-11 | — | — | US | claimed |