⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18914828 | 0.73 | — | — | |
| SCHEMBL13292518 | 0.69 | — | — | |
| SCHEMBL13302758 | 0.60 | — | — | |
| SCHEMBL18947648 | 0.60 | — | — | |
| SCHEMBL17885974 | 0.58 | — | — | |
| SCHEMBL15083816 | 0.55 | — | — | |
| SCHEMBL14447084 | 0.55 | — | — | |
| SCHEMBL15082601 | 0.55 | — | — | |
| SCHEMBL14363114 | 0.51 | TTK (0.30) | — | |
| SCHEMBL2480639 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016193777-A1 | DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES | Université Joseph Fourier (FR) | 2016-12-08 | — | — | WO | disclosed |