⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7702661 | 0.77 | — | — | |
| SCHEMBL28285476 | 0.77 | TTK (0.30) | — | |
| SCHEMBL1120334 | 0.75 | DRD2 (0.32) | — | |
| SCHEMBL4098083 | 0.74 | HTR2B (0.31) | — | |
| SCHEMBL5881053 | 0.74 | CYP19A1 (0.35) | — | |
| SCHEMBL28102667 | 0.72 | IDO1 (0.31) | — | |
| SCHEMBL3976323 | 0.71 | — | — | |
| SCHEMBL28253806 | 0.71 | — | — | |
| SCHEMBL3979369 | 0.68 | — | — | |
| SCHEMBL4303456 | 0.68 | KDM4E (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0310179-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1989-04-05 | — | — | EP | claimed |
| EP-2134169-A2 | COMBINATION OF METFORMIN R-(+) LIPOATE AND ANTIHYPERLIPIDEMIC AGENTS FOR THE TREATMENT OF DIABETIC HYPERGLYCEMIA AND DIABETIC COMPLICATIONS | Indigene Pharmaceuticals Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008112166-A2 | COMBINATION OF METFORMIN R-(+) LIPOATE AND ANTIHYPERLIPIDEMIC AGENTS FOR THE TREATMENT OF DIABETIC HYPERGLYCEMIA AND DIABETIC COMPLICATIONS | INDIGENE PHARMACEUTICALS INC. (US) | 2008-09-18 | — | — | WO | disclosed |