⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29358743 | 1.00 | — | — | |
| SCHEMBL403162 | 1.00 | — | — | |
| SCHEMBL405089 | 1.00 | — | — | |
| SCHEMBL13654209 | 0.95 | — | — | |
| SCHEMBL404258 | 0.95 | — | — | |
| SCHEMBL405804 | 0.95 | — | — | |
| SCHEMBL154873 | 0.95 | — | — | |
| SCHEMBL401045 | 0.92 | — | — | |
| SCHEMBL404083 | 0.89 | — | — | |
| SCHEMBL404643 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |
| US-20090247506-A1 | Antibacterial agents | CHIRON CORPORATION | 2009-10-01 | — | — | US | disclosed |