⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9195962 | 0.83 | — | — | |
| Bromide SCHEMBL17747992 | 0.78 | HRH4 (1.00) | — | |
| SCHEMBL233483 | 0.73 | — | — | |
| Bromide SCHEMBL8582620 | 0.73 | HRH4 (0.77) | — | |
| SCHEMBL29096739 | 0.73 | — | — | |
| SCHEMBL9193111 | 0.73 | CYP1A2 (0.71) | — | |
| Bromide SCHEMBL29446322 | 0.72 | HRH4 (0.65) | — | |
| Bromide SCHEMBL10657559 | 0.71 | HRH4 (0.37) | — | |
| SCHEMBL6591542 | 0.71 | — | — | |
| Bromide SCHEMBL524425 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670720-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-09-13 | — | — | EP | claimed |
| WO-1994012165-A2 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-06-09 | — | — | WO | claimed |
| EP-0670720-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012165-A2 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-06-09 | — | — | WO | disclosed |