⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8272953 | 1.00 | — | — | |
| SCHEMBL8144961 | 1.00 | — | — | |
| SCHEMBL14087163 | 1.00 | — | — | |
| SCHEMBL19004670 | 1.00 | — | — | |
| SCHEMBL8126487 | 1.00 | — | — | |
| SCHEMBL13551736 | 0.88 | CHRNB2 (0.36) | — | |
| SCHEMBL16940974 | 0.86 | MMP2 (0.38) | — | |
| SCHEMBL13743673 | 0.84 | CHRM2 (0.42) | — | |
| SCHEMBL12054901 | 0.83 | HTT (0.39) | — | |
| SCHEMBL8147761 | 0.83 | HTT (0.39) | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114560857-A | Pyrimidopyridine compound and application thereof in medicine | 广东东阳光药业有限公司 | 2022-05-31 | — | — | CN | disclosed |
| US-20180186746-A1 | 6-AMINOISOQUINOLINE COMPOUNDS | ALCON INC. (CH) | 2018-07-05 | — | — | US | disclosed |
| US-9890123-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-13 | — | — | US | disclosed |
| US-20160280656-A1 | 6-AMINOISOQUINOLINE COMPOUNDS | ALCON INC. (CH) | 2016-09-29 | — | — | US | disclosed |
| US-9365518-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2016-06-14 | — | — | US | disclosed |
| US-20150119419-A1 | 6-AMINOISOQUINOLINE COMPOUNDS | ALCON INC. (CH) | 2015-04-30 | — | — | US | disclosed |
| US-8921392-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2014-12-30 | — | — | US | disclosed |
| US-8455513-B2 | Kinase inhibitors; anticarcinogenic agents; obesity, glaucoma; N-(4-(3-(isoquinolin-6-ylamino)-3-oxopropyl)phenyl)-4-methoxybenzamide | AERIE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-8455647-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20130137721-A1 | 6-AMINOISOQUINOLINE COMPOUNDS | AERIE PHARMACEUTICALS, INC. (US) | 2013-05-30 | — | — | US | disclosed |
| US-7550469-B2 | Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-7521445-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-04-21 | — | — | US | disclosed |
| US-20080167340-A1 | 6-Aminoisoquinoline Compounds | AERIE PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | US | disclosed |
| CN-100391967-C | Hepatitis C tripeptide inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-06-04 | — | — | CN | disclosed |
| US-20070259936-A1 | Benzimidazole Modulators of VR1 | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-08 | — | — | US | disclosed |
| US-20070173530-A1 | 6-Aminoisoquinoline Compounds | AERIE PHARMACEUTICALS, INC. (US) | 2007-07-26 | — | — | US | disclosed |
| US-20070161641-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-07-12 | — | — | US | disclosed |
| US-20070142351-A1 | Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-06-21 | — | — | US | disclosed |
| US-7186724-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-06 | — | — | US | disclosed |
| CN-1531547-A | Hepatitis C tripeptide inhibitors | ж� | 2004-09-22 | — | — | CN | disclosed |