⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17694357 | 1.00 | — | — | |
| SCHEMBL14125161 | 0.95 | CNR1 (0.31) | — | |
| SCHEMBL25444633 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL22402534 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL25444635 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL5354304 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL14125168 | 0.85 | — | — | |
| SCHEMBL3457852 | 0.85 | MMP2 (0.34) | — | |
| SCHEMBL25444697 | 0.85 | PDK2 (0.37) | — | |
| SCHEMBL25444711 | 0.85 | NPC1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160108317-A1 | DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY, CONTAINING A DICHROIC DYE COMPOUND | MERCK PATENT GMBH (DE) | 2016-04-21 | — | — | US | disclosed |