⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14928671 | 1.00 | — | — | |
| SCHEMBL11956274 | 0.83 | ALOX5 (0.42) | — | |
| SCHEMBL7874405 | 0.80 | — | — | |
| SCHEMBL9325784 | 0.78 | — | — | |
| SCHEMBL14928381 | 0.78 | — | — | |
| SCHEMBL26662175 | 0.78 | — | — | |
| SCHEMBL1687703 | 0.77 | ALOX5 (0.40) | — | |
| Hydrochloric Acid SCHEMBL9433714 | 0.77 | TAAR1 (0.48) | — | |
| SCHEMBL5199435 | 0.76 | FFAR1 (0.47) | — | |
| SCHEMBL2557799 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433205-A | Polycyclic derivative receptor agonist, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-12-06 | — | — | CN | disclosed |
| US-20180170898-A1 | BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | ALCON INC. (CH) | 2018-06-21 | — | — | US | disclosed |
| US-9884840-B2 | Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-06 | — | — | US | disclosed |
| US-20170073325-A1 | BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | ALCON INC. (CH) | 2017-03-16 | — | — | US | disclosed |
| US-9512101-B2 | Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2016-12-06 | — | — | US | disclosed |
| US-20150299159-A1 | BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | ALCON INC. (CH) | 2015-10-22 | — | — | US | disclosed |
| US-9096569-B2 | Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140249201-A1 | BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | AERIE PHARMACEUTICALS, INC. (US) | 2014-09-04 | — | — | US | disclosed |
| US-8759388-B2 | Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20120196916-A1 | BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | ALCON INC. (CH) | 2012-08-02 | — | — | US | disclosed |
| US-5973156-A | Piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOME LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |