⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7952833 | 0.87 | — | — | |
| SCHEMBL7950407 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7951045 | 0.67 | APAF1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7952860 | 0.66 | DRD2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7951023 | 0.65 | DRD2 (0.32) | — | |
| SCHEMBL906450 | 0.63 | — | — | |
| SCHEMBL6907722 | 0.63 | DRD2 (0.32) | — | |
| Butadiene SCHEMBL5675629 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL6907620 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL6749148 | 0.61 | DRD2 (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 |
|---|---|---|---|---|---|---|---|
| US-6268444-B1 | TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION | DOW CHEMICAL COMPANY | 2001-07-31 | — | — | US | claimed |