⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9037414 | 0.78 | — | — | |
| SCHEMBL28406935 | 0.74 | — | — | |
| SCHEMBL27912661 | 0.72 | CA12 (0.31) | — | |
| SCHEMBL8929908 | 0.70 | PGK1 (0.31) | — | |
| SCHEMBL3388389 | 0.69 | — | — | |
| Alcohol SCHEMBL5850046 | 0.67 | SMPD1 (0.34) | — | |
| SCHEMBL27665716 | 0.67 | PGK1 (0.42) | — | |
| SCHEMBL10523418 | 0.67 | — | — | |
| SCHEMBL27924960 | 0.67 | — | — | |
| Phosphoric Acid SCHEMBL23501797 | 0.66 | — | — |
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-2011044328-A2 | METHODS TO PREPARE PATCHY MICROPARTICLES | UNIVERSITY OF PITTSBURGH -OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2011-04-14 | — | — | WO | disclosed |