⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6906564 | 0.85 | POLB (0.33) | — | |
| SCHEMBL6906751 | 0.84 | SMN1; SMN2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6902395 | 0.75 | — | — | |
| SCHEMBL6902154 | 0.75 | CA2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6902402 | 0.75 | — | — | |
| SCHEMBL6907683 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL9588099 | 0.70 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL6905286 | 0.68 | CYP1A2 (0.32) | — | |
| SCHEMBL13166889 | 0.67 | CYP1A2 (0.41) | — | |
| SCHEMBL6909646 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730626-B2 | TRANSITION METAL DERIVATIVE CAN REACT TO FORM AN IONIC COMPLEX WITH THE ALUMINOXANE | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2004-05-04 | — | — | US | disclosed |
| EP-1323723-A1 | TRANSITION METAL COMPOUNDS, POLYMERIZATION CATALYSTS FOR OLEFINS, OLEFIN POLYMERS AND PROCESS FOR THEIR PRODUCTION | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2003-07-02 | — | — | EP | disclosed |
| US-20020193536-A1 | Transition metal compound, polymerization catalysts for olefins, olefin polymers and process for their production | IDEMITSU KOSAN CO. LTD. (JP) | 2002-12-19 | — | — | US | disclosed |