⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17885801 | 0.71 | — | — | |
| SCHEMBL2600729 | 0.69 | — | — | |
| SCHEMBL14617647 | 0.65 | — | — | |
| SCHEMBL24918071 | 0.65 | — | — | |
| SCHEMBL18353047 | 0.65 | — | — | |
| SCHEMBL17885803 | 0.63 | — | — | |
| SCHEMBL19529349 | 0.63 | PHGDH (0.36) | — | |
| SCHEMBL14375477 | 0.63 | PHGDH (0.36) | — | |
| SCHEMBL19754762 | 0.63 | PHGDH (0.36) | — | |
| SCHEMBL4733461 | 0.63 | PHGDH (0.36) | — |
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-20150203489-A1 | TRISUBSTITUTED PYRIDO[2,3-D]PYRIMIDINES, METHODS FOR PREPARING SAME AND THERAPEUTIC USES THEREOF | UNIVERSITE D'ORLEANS (FR) | 2015-07-23 | — | — | US | disclosed |