⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15231171 | 0.76 | — | — | |
| SCHEMBL2731241 | 0.69 | BRPF1 (0.44) | — | |
| SCHEMBL7300007 | 0.66 | LMNA (0.31) | — | |
| SCHEMBL5739134 | 0.66 | SIRT6 (0.34) | — | |
| SCHEMBL7315748 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL11894389 | 0.63 | — | — | |
| SCHEMBL25343414 | 0.55 | MEN1 (0.39) | — | |
| SCHEMBL13932188 | 0.53 | — | — | |
| SCHEMBL19140126 | 0.51 | — | — | |
| SCHEMBL8800787 | 0.49 | HSD17B10 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715633-B | Dopamine-beta-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2022-03-04 | — | — | CN | disclosed |
| EP-3515433-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | disclosed |
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |