⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL115227 | 1.00 | — | — | |
| SCHEMBL1983413 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL3265328 | 0.97 | — | — | |
| SCHEMBL1982496 | 0.78 | SLC1A3 (0.34) | — | |
| SCHEMBL9213020 | 0.78 | ECE1 (0.32) | — | |
| SCHEMBL27368082 | 0.78 | ECE1 (0.32) | — | |
| SCHEMBL14795238 | 0.78 | ECE1 (0.32) | — | |
| Isovaleramide SCHEMBL9641 | 0.78 | — | — | |
| SCHEMBL3392036 | 0.78 | ALDH1A1 (0.38) | — | |
| Isovaleramide SCHEMBL6055503 | 0.78 | ALDH1A1 (0.53) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250074887-A1 | PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF | Sea Pharmaceuticals LLC. (US) | 2025-03-06 | — | — | US | disclosed |
| WO-2023130008-A2 | PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF | SEA PHARMACEUTICALS LLC (US) | 2023-07-06 | — | — | WO | disclosed |
| WO-2022175749-A1 | COMPOSITIONS FOR CONJUGATING OLIGONUCLEOTIDES AND CARBOHYDRATES | ONEGLOBE HOLDINGS LIMITED (CN) | 2022-08-25 | — | — | WO | disclosed |
| US-9816117-B2 | Methods, reagents and cells for biosynthesizing compounds | INVISTA NORTH AMERICA S.A.R.L. (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170121372-A1 | NOVEL DEPSIPEPTIDE AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-05-04 | — | — | US | disclosed |
| US-9150577-B2 | Heterocyclic compounds containing an indole core | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-10-06 | — | — | US | disclosed |
| US-9150577-B2 | Heterocyclic compounds containing an indole core | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-10-06 | — | — | US | disclosed |
| US-9150577-B2 | Heterocyclic compounds containing an indole core | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-10-06 | — | — | US | disclosed |
| WO-2015034920-A2 | GRANULOCYTE MACROPHAGE COLONY-STIMULATING FACTOR COMPOSITIONS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-03-12 | — | — | WO | disclosed |
| US-20130109679-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-02 | — | — | US | disclosed |
| EP-2509980-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | Boehringer Ingelheim International GmbH (DE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071716-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011071716-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |
| WO-2004043953-A1 | PYRIMIDINE COMPOUNDS | CYCLACEL LIMITED (GB) | 2004-05-27 | — | — | WO | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| EP-0991772-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | Biocatalytics, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998054350-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1998-12-03 | — | — | WO | disclosed |
| US-5834261-A | STEREOSPECIFIC REARRANGEMENT BIOSYNTHESIS BY MICROORGANISM | BIOCATALYTICS, INC. (US) | 1998-11-10 | — | — | US | disclosed |