⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13366909 | 1.00 | — | — | |
| SCHEMBL80289 | 1.00 | — | — | |
| SCHEMBL2711950 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL8156407 | 0.91 | — | — | |
| SCHEMBL15657418 | 0.79 | — | — | |
| SCHEMBL10777654 | 0.79 | — | — | |
| SCHEMBL11370374 | 0.77 | CHRM2 (0.30) | — | |
| SCHEMBL14460138 | 0.73 | — | — | |
| SCHEMBL11179115 | 0.73 | — | — | |
| SCHEMBL16684275 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170198283-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2017-07-13 | — | — | US | disclosed |
| US-20100168390-A1 | MHC MULTIMERS, METHODS FOR THEIR GENERATION, LABELING AND USE | DAKO DENMARK A/S (DK) | 2010-07-01 | — | — | US | disclosed |
| US-20080027237-A1 | Processes for preparations of 9,11-epoxy steroids and intermediates useful therein | NG JOHN S | 2008-01-31 | — | — | US | disclosed |
| US-20080027237-A1 | Processes for preparations of 9,11-epoxy steroids and intermediates useful therein | NG JOHN S | 2008-01-31 | — | — | US | disclosed |