⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18216669 | 1.00 | — | — | |
| SCHEMBL19506424 | 1.00 | — | — | |
| SCHEMBL4102536 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL4596643 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL14460704 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL12050694 | 0.80 | ALDH1A1 (0.58) | — | |
| SCHEMBL19482457 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL443700 | 0.79 | — | — | |
| SCHEMBL2756235 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL17801120 | 0.78 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891073-A1 | NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES AND THEIR USE AS A MEDICAMENT | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006125812-A1 | NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES AND THEIR USE AS A MEDICAMENT | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-30 | — | — | WO | disclosed |