⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16639434 | 0.79 | — | — | |
| SCHEMBL6069649 | 0.76 | SUCNR1 (0.52) | — | |
| SCHEMBL11178096 | 0.76 | SUCNR1 (0.52) | — | |
| SCHEMBL11171510 | 0.74 | SUCNR1 (0.50) | — | |
| SCHEMBL11171178 | 0.72 | CAPN1 (0.37) | — | |
| SCHEMBL16553551 | 0.72 | ADORA2A (0.41) | — | |
| SCHEMBL1432239 | 0.72 | ADORA2A (0.41) | — | |
| Potassium Ion SCHEMBL11171506 | 0.72 | CTSK (0.41) | — | |
| SCHEMBL14189087 | 0.71 | ADORA2A (0.41) | — | |
| SCHEMBL12929964 | 0.71 | ADORA2A (0.40) | — |
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-2837630-B1 | METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE | ASYMCHEM LAB TIANJIN CO LTD (CN) | 2016-11-23 | — | — | EP | disclosed |
| EP-2837630-A1 | METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE | Asymchem Laboratories (Tianjin) Co., Ltd (CN) | 2015-02-18 | — | — | EP | disclosed |