⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23496639 | 0.84 | — | — | |
| SCHEMBL29813218 | 0.84 | — | — | |
| SCHEMBL29517820 | 0.83 | EGFR (0.32) | — | |
| SCHEMBL7104591 | 0.83 | EGFR (0.32) | — | |
| SCHEMBL263075 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL955712 | 0.76 | HTT (0.33) | — | |
| SCHEMBL534442 | 0.76 | EED (0.37) | — | |
| SCHEMBL2077254 | 0.76 | MPO (0.35) | — | |
| SCHEMBL4678400 | 0.74 | MEP1B (0.32) | — | |
| SCHEMBL30055267 | 0.74 | MEP1B (0.32) | — |
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 11 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 |
| US-20220017523-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-ß-HYDROXYLASE INHIBITORS | BIAL - PORTELA & CA, S.A. (PT) | 2022-01-20 | — | — | US | disclosed |
| US-11034695-B2 | Dopamine-β-hydroxylase inhibitors | BIAL—Portela & Cᵃ, S.A. (PT) | 2021-06-15 | — | — | US | disclosed |
| US-10975083-B2 | Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors | BIAL—PORTELA & CA, S.A. (PT) | 2021-04-13 | — | — | US | disclosed |
| US-20200181148-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL-PORTELA & CA, S.A. (PT) | 2020-06-11 | — | — | US | disclosed |
| US-20190337950-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL-PORTELA & CA, S.A. (PT) | 2019-11-07 | — | — | US | disclosed |
| EP-3515917-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2019-07-31 | — | — | EP | 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 |
| WO-2018056855-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |
| CN-104744305-A | Synthesis method of 2,4-dichloro-3-cyan-5-fluorobenzoic acid | ZHEJIANG ZHONGXIN CHEMICALS CO LTD | 2015-07-01 | — | — | CN | disclosed |