⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL516449 | 0.97 | CYP3A4 (0.48) | — | |
| SCHEMBL8679788 | 0.78 | TDP1 (0.36) | — | |
| Choline SCHEMBL23355962 | 0.77 | LMNA (0.67) | — | |
| SCHEMBL8915134 | 0.77 | — | — | |
| SCHEMBL4729368 | 0.77 | — | — | |
| Choline SCHEMBL28975642 | 0.74 | LMNA (0.63) | — | |
| Choline SCHEMBL516453 | 0.74 | CYP3A4 (0.72) | — | |
| SCHEMBL741281 | 0.74 | — | — | |
| SCHEMBL1955051 | 0.74 | MEN1 (0.41) | — | |
| Choline SCHEMBL15993853 | 0.74 | LMNA (0.63) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108714236-B | Starch-choline composite system and preparation method and application thereof | 北京化工大学 | 2020-03-20 | — | — | CN | claimed |
| US-20090149540-A1 | Compositions and Methods for Attenuating Mitochondria-Mediated Cell Injury | UNIVERSITY OF ROCHESTER | 2009-06-11 | — | — | US | disclosed |
| EP-1968650-A2 | COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF | University of Rochester (US) | 2008-09-17 | — | — | EP | disclosed |
| EP-1965650-A2 | COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY | University of Rochester (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007076323-A2 | COMPOUNDS FOR DELIVERING AMINO ACIDS OR PEPTIDES WITH ANTIOXIDANT ACTIVITY INTO MITOCHONDRIA AND USE THEREOF | UNIVERSITY OF ROCHESTER (US) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007076322-A2 | COMPOSITIONS AND METHODS FOR ATTENUATING MITOCHONDRIA-MEDIATED CELL INJURY | UNIVERSITY OF ROCHESTER (US) | 2007-07-05 | — | — | WO | disclosed |
| US-20060122267-A1 | Compositions and methods for attenuating mitochondria-mediated cell injury | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-06-08 | — | — | US | disclosed |