⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL390228 | 0.98 | — | — | |
| SCHEMBL7932489 | 0.76 | — | — | |
| SCHEMBL6294236 | 0.73 | — | — | |
| SCHEMBL7048470 | 0.73 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4066880 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL7045345 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL390617 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4053980 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL8857282 | 0.67 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6039930 | 0.66 | TP53 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6583227-B2 | Crystalline homo/copolymers prepared using sequential or parallel metallocene dual catalyst system; broad, bimodal molecular weight distribution; biaxially oriented and non-oriented films; even stretch at low temperature | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-06-24 | — | — | US | claimed |
| EP-1058694-B1 | Catalyst system, method for its production and its use for the polymerisation of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-04-09 | — | — | EP | claimed |