⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26090607 | 0.95 | CA1 (0.36) | — | |
| SCHEMBL1775388 | 0.78 | — | — | |
| SCHEMBL2289505 | 0.72 | — | — | |
| SCHEMBL14142775 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL12713377 | 0.72 | — | — | |
| SCHEMBL12713378 | 0.72 | — | — | |
| SCHEMBL9814044 | 0.71 | — | — | |
| SCHEMBL10149343 | 0.70 | — | — | |
| SCHEMBL17029674 | 0.70 | — | — | |
| SCHEMBL17113756 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012009070-A2 | ULTRASMALL METAL OXIDE NANOPARTICLES | WILLIAM MARSH RICE UNIVERSITY (US) | 2012-01-19 | — | — | WO | disclosed |
| US-4188501-A | REMOVAL OF CATALYST POISONS BY USE OF A CALCIUM, TI ANIUM ZINC OR ZIRCONIUM OXIDE ADSORBENT | PHILLIPS PETROLEUM COMPANY (US) | 1980-02-12 | — | — | US | disclosed |