⚠ 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 | |
|---|---|---|---|---|
| Bromoethane SCHEMBL703294 | 0.78 | — | — | |
| SCHEMBL13916484 | 0.76 | — | — | |
| N-Propyl Bromide SCHEMBL795887 | 0.70 | — | — | |
| N-Propyl Bromide SCHEMBL795893 | 0.70 | — | — | |
| SCHEMBL13916488 | 0.68 | — | — | |
| 1,2-Dibromoethane SCHEMBL11411440 | 0.67 | — | — | |
| N-Propyl Bromide SCHEMBL5756591 | 0.67 | — | — | |
| N-Propyl Bromide SCHEMBL2478 | 0.67 | — | — | |
| Butane SCHEMBL31653585 | 0.67 | — | — | |
| N-Propyl Bromide SCHEMBL15864866 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120071554-A1 | DEUTERATED 2-PROPYLPENTANOIC ACID COMPOUNDS | CONCERT PHARMACEUTICALS INC. | 2012-03-22 | — | — | US | disclosed |