⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21789414 | 0.69 | ATAD2 (0.39) | — | |
| SCHEMBL20878330 | 0.69 | GAA (0.39) | — | |
| SCHEMBL18373246 | 0.67 | GAA (0.38) | — | |
| SCHEMBL18476607 | 0.65 | — | — | |
| SCHEMBL887700 | 0.64 | ATAD2 (0.48) | — | |
| SCHEMBL29181403 | 0.63 | LMNA (0.36) | — | |
| SCHEMBL18783134 | 0.60 | DPYD (0.50) | — | |
| Hydrochloric Acid SCHEMBL29256236 | 0.60 | DPYD (0.50) | — | |
| Potassium SCHEMBL29524710 | 0.60 | DPYD (0.50) | — | |
| SCHEMBL2888210 | 0.60 | — | — |
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-10011612-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20170066783-A1 | Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2017-03-09 | — | — | US | disclosed |