⚠ 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 SCHEMBL455000 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7942050 | 0.85 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8823193 | 0.85 | GAA (0.33) | — | |
| Hydrochloric Acid SCHEMBL452344 | 0.85 | TSHR (0.31) | — | |
| Fluoride Ion SCHEMBL7642604 | 0.85 | — | — | |
| Fluoride Ion SCHEMBL7640467 | 0.85 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL8823197 | 0.83 | NR3C1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7934570 | 0.83 | NSD2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL453025 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7945479 | 0.82 | GPR3 (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 |
|---|---|---|---|---|---|---|---|
| US-20020143125-A1 | Catalyst component and catalyst system having a high polymerization activity for preparing polymers | KAMINSKY WALTER (DE) | 2002-10-03 | — | — | US | disclosed |
| US-6303718-B1 | PARTICULARLY A CATALYST SYSTEM CONSISTING OF METALLOCENE FLUORIDES AND ALUMINUM ALKYLS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-16 | — | — | US | disclosed |