⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21729764 | 0.75 | — | — | |
| SCHEMBL21729669 | 0.75 | — | — | |
| SCHEMBL15822092 | 0.75 | — | — | |
| SCHEMBL28030156 | 0.72 | — | — | |
| SCHEMBL15823058 | 0.66 | HSP90AB1 (0.40) | — | |
| SCHEMBL21729695 | 0.60 | — | — | |
| SCHEMBL31349336 | 0.58 | GABRA1 (0.41) | — | |
| SCHEMBL10455644 | 0.58 | GABRA1 (0.41) | — | |
| SCHEMBL28030150 | 0.58 | HPGD (0.38) | — | |
| SCHEMBL29702023 | 0.57 | GABRA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104918948-A | Catalyst | BOREALIS AG | 2015-09-16 | — | — | CN | disclosed |