⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005951 | 0.83 | ACACB (0.35) | — | |
| SCHEMBL17535604 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL17535652 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL14972291 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL19857249 | 0.64 | HCRTR2 (0.36) | — | |
| SCHEMBL15213356 | 0.64 | HCRTR2 (0.36) | — | |
| SCHEMBL22666391 | 0.64 | HCRTR2 (0.36) | — | |
| SCHEMBL23220420 | 0.64 | CA1 (0.38) | — | |
| SCHEMBL23989830 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL30030113 | 0.62 | ALDH1A1 (0.38) | — |
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-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |