Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23174590 | 0.91 | — | — | |
| Lithium Ion SCHEMBL990625 | 0.57 | — | — | |
| SCHEMBL9418156 | 0.55 | — | — | |
| SCHEMBL27977434 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL3751552 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL22407 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL20586 | 0.53 | — | — | |
| SCHEMBL20212036 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL6595291 | 0.52 | — | — | |
| Water SCHEMBL2864553 | 0.50 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5912352-A | CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY | NOVARTIS FINANCE CORPORATION (US) | 1999-06-15 | — | — | US | claimed |
| WO-1997046514-A1 | PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES | NOVARTIS AG (CH) | 1997-12-11 | — | — | WO | claimed |
| EP-3065743-B1 | PRODUCTION OF 6-HYDROXY MORPHINANS WITHOUT THE ISOLATION OF INTERMEDIATES | SpecGx LLC (US) | 2019-05-29 | — | — | EP | disclosed |
| EP-3065743-A1 | PRODUCTION OF 6-HYDROXY MORPHINANS WITHOUT THE ISOLATION OF INTERMEDIATES | Mallinckrodt LLC (US) | 2016-09-14 | — | — | EP | disclosed |
| US-9193737-B2 | Production of 6-hydroxy morphinans without the isolation of intermediates | MALLINCKRODT LLC (US) | 2015-11-24 | — | — | US | disclosed |
| WO-2015069717-A1 | PRODUCTION OF 6-HYDROXY MORPHINANS WITHOUT THE ISOLATION OF INTERMEDIATES | MALLINCKRODT LLC (US) | 2015-05-14 | — | — | WO | disclosed |
| US-20150126742-A1 | PRODUCTION OF 6-HYDROXY MORPHINANS WITHOUT THE ISOLATION OF INTERMEDIATES | OCERA THERAPEUTICS LLC | 2015-05-07 | — | — | US | disclosed |
| WO-2013016185-A1 | SYNTHESIS OF BORONIC ESTERS AND BORONIC ACIDS USING GRIGNARD REAGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-01-31 | — | — | WO | disclosed |
| US-6500845-B1 | ACTIVATING CYTOKINE RELEASE USING IMMUNOSUPPRESSANTS SUCH AS 2-(3-METHYL-2-OXO-PIPERIDIN-3-YL)-BENZO(D)ISOSELENAZOL-3-ONE, RACEMIC MIXTURES OR ISOMERS HAVING DIMENSIONAL STABILITY, PREPARED IN THE PRESENCE OF REDUCING AGENT | GRUENENTHAL GMBH (DE) | 2002-12-31 | — | — | US | disclosed |
| EP-0876336-B1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6225345-B1 | FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME | NOVARTIS AG (CH) | 2001-05-01 | — | — | US | disclosed |
| US-5912352-A | CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY | NOVARTIS FINANCE CORPORATION (US) | 1999-06-15 | — | — | US | disclosed |
| EP-0876336-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | Novartis AG (CH) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997046514-A1 | PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES | NOVARTIS AG (CH) | 1997-12-11 | — | — | WO | disclosed |
| WO-1997019055-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 1997-05-29 | — | — | WO | disclosed |