⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12825568 | 1.00 | — | — | |
| SCHEMBL12821419 | 0.84 | PDK2 (0.32) | — | |
| SCHEMBL12825604 | 0.78 | ACHE (0.37) | — | |
| SCHEMBL16499412 | 0.67 | OPRD1 (0.46) | — | |
| SCHEMBL12827353 | 0.67 | OPRD1 (0.46) | — | |
| SCHEMBL16499555 | 0.67 | OPRD1 (0.46) | — | |
| SCHEMBL12825563 | 0.67 | OPRD1 (0.46) | — | |
| SCHEMBL12821645 | 0.66 | HSP90AA1 (0.33) | — | |
| SCHEMBL16499408 | 0.66 | HSP90AA1 (0.33) | — | |
| SCHEMBL16499409 | 0.66 | HSP90AA1 (0.33) | — |
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-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |