⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2973430 | 0.83 | — | — | |
| SCHEMBL29607274 | 0.82 | CES2 (0.30) | — | |
| SCHEMBL1477929 | 0.82 | CES2 (0.30) | — | |
| SCHEMBL2963162 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL30112264 | 0.75 | ACHE (0.30) | — | |
| SCHEMBL9016939 | 0.75 | — | — | |
| SCHEMBL28913756 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL8643010 | 0.71 | — | — | |
| SCHEMBL8041956 | 0.71 | — | — | |
| SCHEMBL2970129 | 0.71 | GABRA1 (0.33) | — |
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-20140323418-A1 | SELECTIVE KINASE INHIBITORS | PORTOLA PHARMACEUTICALS, INC. (US) | 2014-10-30 | — | — | US | disclosed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |