⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2263110 | 0.79 | — | — | |
| SCHEMBL11361006 | 0.77 | CYP19A1 (0.48) | — | |
| SCHEMBL10424811 | 0.77 | CYP19A1 (0.48) | — | |
| SCHEMBL6222472 | 0.72 | — | — | |
| SCHEMBL251196 | 0.72 | — | — | |
| SCHEMBL6483599 | 0.72 | — | — | |
| SCHEMBL5333181 | 0.72 | — | — | |
| SCHEMBL665313 | 0.72 | — | — | |
| SCHEMBL10942738 | 0.72 | — | — | |
| SCHEMBL602079 | 0.72 | — | — |
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-8252944-B2 | Process for preparing heteroaromatic ring compound having N-Rf group | DAIKIN INDUSTRIES, LTD. (JP) | 2012-08-28 | — | — | US | disclosed |
| US-20120116097-A1 | PROCESS FOR PREPARING HETEROAROMATIC RING COMPOUND HAVING N-Rf GROUP | DAIKIN INDUSTRIES, LTD. (JP) | 2012-05-10 | — | — | US | disclosed |
| US-20100286181-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | disclosed |