⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8471886 | 0.67 | — | — | |
| SCHEMBL510230 | 0.62 | — | — | |
| SCHEMBL4898698 | 0.62 | — | — | |
| 1,2-Dibromoethane SCHEMBL9845242 | 0.57 | — | — | |
| Methane SCHEMBL9322966 | 0.57 | — | — | |
| Dibromomethane SCHEMBL20033 | 0.57 | — | — | |
| Methane SCHEMBL8673487 | 0.57 | — | — | |
| Dibromomethane SCHEMBL8630221 | 0.51 | — | — | |
| SCHEMBL7955599 | 0.51 | — | — | |
| 1,2-Dibromoethane SCHEMBL10589569 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008090570-A1 | NOVEL ANTIMICROBIALS | PANACEA BIOTEC LTD (IN) | 2008-07-31 | — | — | WO | disclosed |