⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17156268 | 0.71 | — | — | |
| Cyclohexane SCHEMBL3484424 | 0.71 | — | — | |
| Cyclohexane SCHEMBL1936712 | 0.71 | — | — | |
| Cyclohexane SCHEMBL12476384 | 0.71 | — | — | |
| SCHEMBL19810076 | 0.67 | — | — | |
| SCHEMBL4844648 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL10907405 | 0.67 | DPP4 (0.30) | — | |
| SCHEMBL5612392 | 0.62 | — | — | |
| Cyclohexane SCHEMBL15524358 | 0.61 | LMNA (0.57) | — | |
| Cyclohexane SCHEMBL457847 | 0.61 | LMNA (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100004159-A1 | SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES | GENFIT (FR) | 2010-01-07 | — | — | US | disclosed |
| WO-2007039609-A1 | PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY | INSTITUT PASTEUR (FR) | 2007-04-12 | — | — | WO | disclosed |