⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21201819 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL21201902 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL17835288 | 0.83 | RARA (0.31) | — | |
| SCHEMBL21201904 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL17835291 | 0.81 | APP (0.36) | — | |
| SCHEMBL21201913 | 0.79 | — | — | |
| SCHEMBL18418540 | 0.76 | APP (0.37) | — | |
| SCHEMBL21201818 | 0.74 | — | — | |
| SCHEMBL16265316 | 0.73 | CYP3A4 (0.35) | — | |
| SCHEMBL2572427 | 0.73 | APP (0.48) | — |
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-10364356-B2 | Device for regulating the passage of energy | MERCK PATENT GMBH (DE) | 2019-07-30 | — | — | US | disclosed |
| WO-2016091345-A1 | DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | WO | disclosed |