⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30888846 | 0.81 | — | — | |
| SCHEMBL3869809 | 0.78 | — | — | |
| SCHEMBL5025202 | 0.78 | — | — | |
| SCHEMBL28550944 | 0.77 | PKM (0.31) | — | |
| SCHEMBL27695099 | 0.74 | — | — | |
| SCHEMBL29105246 | 0.74 | TP53 (0.31) | — | |
| SCHEMBL8643129 | 0.73 | — | — | |
| SCHEMBL6130810 | 0.70 | — | — | |
| SCHEMBL2024521 | 0.70 | — | — | |
| SCHEMBL18037666 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285664-B2 | Heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | S.C.R.A.S. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) | 2007-10-23 | — | — | US | disclosed |
| US-20050227991-A1 | New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments | IPSEN PHARMA S.A.S. (FR) | 2005-10-13 | — | — | US | disclosed |
| US-6936715-B2 | Lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) | 2005-08-30 | — | — | US | disclosed |
| EP-1265891-B1 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | CONSEILS DE RECH SET D APPLIC (FR) | 2004-12-29 | — | — | EP | disclosed |
| US-20030105107-A1 | Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines | IPSEN PHARMA S.A.S. (FR) | 2003-06-05 | — | — | US | disclosed |