⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6674741 | 0.80 | — | — | |
| SCHEMBL4652462 | 0.80 | — | — | |
| SCHEMBL9144809 | 0.78 | — | — | |
| Lithium SCHEMBL9143824 | 0.78 | — | — | |
| SCHEMBL4938103 | 0.70 | — | — | |
| SCHEMBL10320287 | 0.69 | — | — | |
| SCHEMBL10320049 | 0.69 | ESR1 (0.31) | — | |
| SCHEMBL10318063 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL10459198 | 0.67 | — | — | |
| SCHEMBL10320213 | 0.67 | — | — |
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-6730801-B2 | COMPLEXING, SALT FORMATION | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2004-05-04 | — | — | US | disclosed |
| US-20040054207-A1 | METHOD FOR PRODUCING DINUCLEAR TRANSITION METAL COMPLEXES AS OLEFIN POLYMERIZATION CATALYST | KOREA KUMHO PETRO-CHEMICAL CO., LTD. (KR) | 2004-03-18 | — | — | US | disclosed |