⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459542 | 0.81 | — | — | |
| SCHEMBL28984387 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL28384364 | 0.77 | — | — | |
| SCHEMBL9615569 | 0.75 | — | — | |
| SCHEMBL2641198 | 0.75 | — | — | |
| SCHEMBL4628092 | 0.75 | — | — | |
| SCHEMBL5175008 | 0.71 | — | — | |
| Oxalic Acid SCHEMBL29011315 | 0.71 | — | — | |
| SCHEMBL29117785 | 0.70 | CYP3A4 (0.35) | — | |
| SCHEMBL27598235 | 0.70 | CYP3A4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101291816-B | Set of curable liquids and methods for inkjet printing | AGFA GRAPHICS NV | 2012-06-20 | — | — | CN | disclosed |
| US-20080268045-A1 | SUSTAINED RELEASE METHOTREXATE FORMULATIONS AND METHODS OF USE THEREOF | PROPRIUS PHARMACEUTICALS, INC. (US) | 2008-10-30 | — | — | US | disclosed |
| WO-2008058288-A2 | SUSTAINED RELEASE METHOTREXATE FORMULATIONS AND METHODS OF USE THEREOF | PROPRIUS PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |