⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1868825 | 0.83 | CES2 (0.37) | — | |
| SCHEMBL29967714 | 0.83 | CES2 (0.37) | — | |
| SCHEMBL7924229 | 0.81 | CES2 (0.36) | — | |
| Water SCHEMBL5503134 | 0.81 | CES2 (0.36) | — | |
| SCHEMBL6691093 | 0.81 | CES2 (0.36) | — | |
| Boric Acid SCHEMBL5715747 | 0.75 | CES2 (0.37) | — | |
| SCHEMBL31711774 | 0.74 | CES2 (0.34) | — | |
| SCHEMBL5716515 | 0.72 | CES2 (0.39) | — | |
| Cyanate SCHEMBL28065685 | 0.72 | CES2 (0.34) | — | |
| SCHEMBL31001034 | 0.71 | CES2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0954540-B1 | A PROCESS FOR POLYMERIZING OLEFINS | SABIC POLYPROPYLENES BV (NL) | 2004-07-28 | — | — | EP | disclosed |
| US-6218487-B1 | AS COCATALYST A HALOHYDROCARBYL SILANE, GERMANE, STANNANE OR PLUMBANE | DSM N.V. (NL) | 2001-04-17 | — | — | US | disclosed |
| EP-0954540-A1 | A PROCESS FOR POLYMERIZING OLEFINS | DSM N.V. (NL) | 1999-11-10 | — | — | EP | disclosed |
| WO-1998030603-A1 | A PROCESS FOR POLYMERIZING OLEFINS | DSM N.V. (NL) | 1998-07-16 | — | — | WO | disclosed |