⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22485475 | 0.79 | — | — | |
| SCHEMBL21548400 | 0.76 | — | — | |
| SCHEMBL366847 | 0.70 | — | — | |
| SCHEMBL23047632 | 0.70 | — | — | |
| SCHEMBL4199376 | 0.69 | — | — | |
| SCHEMBL271892 | 0.69 | — | — | |
| SCHEMBL21286070 | 0.67 | — | — | |
| SCHEMBL22747532 | 0.67 | — | — | |
| SCHEMBL11793669 | 0.64 | — | — | |
| SCHEMBL21501933 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200231570-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2020-07-23 | — | — | US | disclosed |
| US-10227314-B2 | Cystathionine-gamma-lyase (CSE) inhibitors | SOVA PHARMACEUTICALS, INC. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20170334866-A1 | CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS | SOVA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |