⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8997376 | 0.73 | — | — | |
| SCHEMBL16111087 | 0.73 | — | — | |
| SCHEMBL522260 | 0.73 | — | — | |
| SCHEMBL10976879 | 0.73 | — | — | |
| SCHEMBL1136484 | 0.71 | — | — | |
| SCHEMBL28769846 | 0.71 | — | — | |
| SCHEMBL4035501 | 0.71 | — | — | |
| SCHEMBL11566984 | 0.71 | — | — | |
| SCHEMBL16161430 | 0.69 | — | — | |
| SCHEMBL1509693 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040133938-A1 | Use of lipoic acid in plant culture media | MONSANTO TECHNOLOGY LLC | 2004-07-08 | — | — | US | disclosed |
| US-6387945-B2 | REACTING AN AMINE AND A CARBOXY-1,2-DITHIOLANE DERIVATIVE TO PRODUCE COMPOUNDS SUCH AS N,N-DIMETHYL-N-2-AMIDOETHYL LIPOATE USED TO TREAT CONDITIONS INVOLVING REACTIVE OXYGEN SPECIES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-05-14 | — | — | US | disclosed |
| US-20010039292-A1 | Lipoic acid analogs | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION | 2001-11-08 | — | — | US | disclosed |
| US-6235772-B1 | OXIDATION RESISTANCE; ATHEROSCLEROSIS; AUTOIMMUNE DISEASES; BRAIN DISORDERS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2001-05-22 | — | — | US | disclosed |
| EP-1061914-A1 | LIPOIC ACID ANALOGS | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-12-27 | — | — | EP | disclosed |
| US-6090842-A | REDUCES CONCENTRATION OF OXYGEN IN CELLS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-07-18 | — | — | US | disclosed |
| WO-1999045922-A1 | LIPOIC ACID ANALOGS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-09-16 | — | — | WO | disclosed |