⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20198760 | 0.72 | — | — | |
| SCHEMBL25626166 | 0.71 | DPP4 (0.30) | — | |
| SCHEMBL19303091 | 0.71 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL22147530 | 0.65 | DPP7 (0.40) | — | |
| SCHEMBL13543177 | 0.64 | MAPT (0.35) | — | |
| SCHEMBL10430831 | 0.64 | KDM4E (0.35) | — | |
| SCHEMBL1863987 | 0.63 | — | — | |
| SCHEMBL10035694 | 0.63 | — | — | |
| SCHEMBL12267290 | 0.63 | — | — | |
| SCHEMBL10037283 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120034594-A1 | Methylocystis Strain SB2 Materials and Methods | UNITED STATES DEPARTMENT OF ENERGY | 2012-02-09 | — | — | US | disclosed |