⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12085572 | 0.78 | CA12 (0.43) | — | |
| SCHEMBL364371 | 0.78 | — | — | |
| SCHEMBL39229 | 0.78 | CA12 (0.43) | — | |
| SCHEMBL1965547 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL10636393 | 0.76 | UBE2N (0.46) | — | |
| SCHEMBL27131291 | 0.76 | — | — | |
| SCHEMBL29057369 | 0.75 | — | — | |
| SCHEMBL21799779 | 0.74 | CA12 (0.39) | — | |
| SCHEMBL7756313 | 0.74 | — | — | |
| SCHEMBL29580033 | 0.74 | — | — |
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-2009055019-A1 | SURFACE PREPARATION COMPOUND | GIMVANG BO H (US) | 2009-04-30 | — | — | WO | disclosed |