⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16974726 | 0.91 | — | — | |
| SCHEMBL31482628 | 0.91 | — | — | |
| SCHEMBL25228217 | 0.81 | — | — | |
| SCHEMBL21504402 | 0.79 | S1PR1 (0.30) | — | |
| SCHEMBL31706708 | 0.77 | — | — | |
| SCHEMBL25332565 | 0.75 | — | — | |
| SCHEMBL25332559 | 0.75 | — | — | |
| SCHEMBL19157906 | 0.75 | — | — | |
| SCHEMBL24565274 | 0.74 | S1PR1 (0.32) | — | |
| SCHEMBL27891915 | 0.74 | S1PR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2886540-B1 | BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS | XUANZHU PHARMA CO LTD (CN) | 2017-07-26 | — | — | EP | disclosed |
| EP-2735567-B1 | HETEROCYCLIC SUBSTITUTED PYRIMIDINE COMPOUND | XUANZHU PHARMA CO LTD (CN) | 2016-10-26 | — | — | EP | disclosed |