⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17252170 | 1.00 | — | — | |
| SCHEMBL17252172 | 1.00 | — | — | |
| SCHEMBL22039719 | 0.78 | — | — | |
| SCHEMBL23158242 | 0.78 | — | — | |
| SCHEMBL24592078 | 0.73 | — | — | |
| SCHEMBL24920410 | 0.73 | — | — | |
| SCHEMBL27754994 | 0.73 | — | — | |
| SCHEMBL24605531 | 0.65 | — | — | |
| SCHEMBL22416906 | 0.65 | — | — | |
| SCHEMBL20787021 | 0.58 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015170050-A1 | THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL AND FURANDICARBOXYLIC ACID MOTIFS | ROQUETTE FRERES (FR) | 2015-11-12 | — | — | WO | disclosed |
| WO-2015170049-A1 | THERMOPLASTIC AROMATIC POLYESTERS COMPRISING TETRAHYDROFURAN-DIMETHANOL MOTIFS | ROQUETTE FRERES (FR) | 2015-11-12 | — | — | WO | disclosed |