⚠ 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 SCHEMBL29612334 | 0.80 | GABRA1 (0.34) | — | |
| Fluoride Ion SCHEMBL7643370 | 0.79 | CYP1A2 (0.30) | — | |
| Fluoride Ion SCHEMBL7638701 | 0.78 | PDCD1 (0.32) | — | |
| Fluoride Ion SCHEMBL7639341 | 0.78 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL29612338 | 0.76 | SYK (0.33) | — | |
| SCHEMBL28890907 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL7593800 | 0.76 | MEN1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27509773 | 0.75 | CYP1A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27479364 | 0.75 | PDCD1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28411922 | 0.75 | MEN1 (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 |