⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28065410 | 0.70 | — | — | |
| SCHEMBL12057465 | 0.68 | MDM2 (0.33) | — | |
| Sulfuric Acid SCHEMBL17491674 | 0.64 | — | — | |
| SCHEMBL2592304 | 0.63 | TSHR (0.46) | — | |
| SCHEMBL10927477 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL15558731 | 0.62 | — | — | |
| SCHEMBL4310051 | 0.61 | — | — | |
| SCHEMBL9790754 | 0.61 | FDPS (0.47) | — | |
| SCHEMBL28882502 | 0.60 | FDPS (0.46) | — | |
| SCHEMBL15016314 | 0.59 | — | — |
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-7169926-B1 | Dipeptidyl peptidase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-30 | — | — | US | claimed |
| EP-2550871-A1 | Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses | The Coca-Cola Company (US) | 2013-01-30 | — | — | EP | disclosed |
| US-7678909-B1 | 2-[2-(3-Amino-cyclohexyl)-5-benzyl-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridin-3-ylmethyl]-benzonitrile; type 2 diabetes mellitus, diabetic dislipidemia, impaired glucose tolerance; female infertility, osteoporosis, male contraception and neurological disorders | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-16 | — | — | US | disclosed |
| US-20080292765-A1 | Sweetness Enhancers, Sweetness Enhanced Sweetener Compositions, Methods for Their Formulation, and Uses | THE COCA-COLA COMPANY (US) | 2008-11-27 | — | — | US | disclosed |
| US-20080292765-A1 | Sweetness Enhancers, Sweetness Enhanced Sweetener Compositions, Methods for Their Formulation, and Uses | THE COCA-COLA COMPANY (US) | 2008-11-27 | — | — | US | disclosed |
| US-20070200089-A1 | Polishing liquid for metals | FUJIFILM CORPORATION | 2007-08-30 | — | — | US | disclosed |
| US-7169926-B1 | Dipeptidyl peptidase inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-30 | — | — | US | disclosed |