⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7180244 | 0.93 | BCHE (0.33) | — | |
| SCHEMBL7180639 | 0.90 | SLC22A2 (0.30) | — | |
| SCHEMBL7180922 | 0.81 | — | — | |
| SCHEMBL7174524 | 0.81 | — | — | |
| SCHEMBL7175963 | 0.80 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL7174520 | 0.80 | BCHE (0.30) | — | |
| Hydrochloric Acid SCHEMBL7174392 | 0.79 | — | — | |
| SCHEMBL7180683 | 0.74 | BCHE (0.33) | — | |
| Hydrochloric Acid SCHEMBL7180678 | 0.73 | BCHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL7180932 | 0.73 | — | — |
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-6583304-B2 | Coordination catalyst | DAELIM INDUSTRIAL CO., LTD. (KR) | 2003-06-24 | — | — | US | disclosed |
| US-20010025117-A1 | Metallocene compounds, metallocene catalysts including the compounds and methods of polymerizing olefins with the catalysts | DL CHEMICAL CO., LTD. (KR) | 2001-09-27 | — | — | US | disclosed |