⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8157165 | 0.82 | — | — | |
| SCHEMBL7939577 | 0.78 | — | — | |
| SCHEMBL8165080 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8163359 | 0.73 | — | — | |
| SCHEMBL3688468 | 0.71 | — | — | |
| SCHEMBL7054648 | 0.71 | — | — | |
| SCHEMBL15417819 | 0.71 | — | — | |
| SCHEMBL6055111 | 0.70 | — | — | |
| SCHEMBL18092495 | 0.69 | — | — | |
| SCHEMBL7767434 | 0.69 | TP53 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1159306-B1 | HETEROLEPTIC ALKALINE-EARTH METAL COMPOUNDS AND METHODS FOR CARRYING OUT STEREOSELECTIVE ANIONIC POLYMERIZATION | BASF AG (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-6399727-B1 | COMPLEX | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-04 | — | — | US | disclosed |