⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28384216 | 0.74 | — | — | |
| SCHEMBL1567148 | 0.74 | — | — | |
| SCHEMBL28387183 | 0.74 | — | — | |
| SCHEMBL115169 | 0.74 | — | — | |
| SCHEMBL5845736 | 0.74 | — | — | |
| SCHEMBL1218308 | 0.70 | — | — | |
| SCHEMBL17755828 | 0.69 | — | — | |
| SCHEMBL4256769 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL14738348 | 0.67 | — | — | |
| SCHEMBL4256774 | 0.67 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100233415-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2010-09-16 | — | — | US | disclosed |
| US-7727976-B2 | Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs | XENOPORT, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| EP-1997856-A1 | OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-12-03 | — | — | EP | disclosed |
| CN-101296731-A | Novel benzopyran derivatives as potassium channel openers | JANSSEN PHARMACEUTICA NV (BE) | 2008-10-29 | — | — | CN | disclosed |
| CN-101296925-A | Novel benzopyran derivatives as potassium channel openers | JANSSEN PHARMACEUTICA NV (BE) | 2008-10-29 | — | — | CN | disclosed |
| US-7053076-B2 | Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs | XENOPORT, INC. (US) | 2006-05-30 | — | — | US | disclosed |
| US-20060030551-A1 | Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs | XENOPORT, INC. | 2006-02-09 | — | — | US | disclosed |
| US-20030130246-A1 | Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs | XENOPORT, INC. | 2003-07-10 | — | — | US | disclosed |
| WO-2003020214-A2 | BILE-ACID DERIVED COMPOUNDS FOR ENHANCING ORAL ABSORPTION AND SYSTEMIC BIOAVAILABILITY OF DRUGS | XENOPORT, INC. (US) | 2003-03-13 | — | — | WO | disclosed |