⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14141298 | 0.83 | — | — | |
| SCHEMBL18456593 | 0.81 | IDUA (0.50) | — | |
| Hydrochloric Acid SCHEMBL14879879 | 0.70 | IDUA (0.35) | — | |
| SCHEMBL18456600 | 0.70 | MGAM (0.39) | — | |
| SCHEMBL12620557 | 0.69 | — | — | |
| SCHEMBL13791128 | 0.69 | — | — | |
| SCHEMBL11577698 | 0.69 | — | — | |
| SCHEMBL18464117 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL18456609 | 0.67 | FUCA1 (0.34) | — | |
| SCHEMBL14612064 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10421762-B2 | Pyridine derivative | ASTELLAS PHARMA INC. (JP) | 2019-09-24 | — | — | US | disclosed |
| US-20170190715-A1 | PYRIDINE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2017-07-06 | — | — | US | disclosed |