⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15634 | 1.00 | — | — | |
| SCHEMBL3466585 | 1.00 | — | — | |
| SCHEMBL6011795 | 0.78 | — | — | |
| SCHEMBL10950891 | 0.76 | — | — | |
| SCHEMBL10794964 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL24710491 | 0.72 | CTSL (0.31) | — | |
| SCHEMBL10946888 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL7752949 | 0.71 | — | — | |
| SCHEMBL487461 | 0.71 | — | — | |
| Acetonitrile SCHEMBL11376983 | 0.71 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2010070593-A2 | MALONATE ESTERS | PFIZER IRELAND PHARMACEUTICALS (IE) | 2010-06-24 | — | — | WO | disclosed |