⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2789986 | 0.80 | NPSR1 (0.39) | — | |
| SCHEMBL3120859 | 0.78 | CYP1A2 (0.32) | — | |
| SCHEMBL15616940 | 0.77 | MEN1 (0.36) | — | |
| SCHEMBL11043506 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL13853637 | 0.77 | HSD17B10 (0.35) | — | |
| SCHEMBL1260251 | 0.77 | CYP2C9 (0.35) | — | |
| SCHEMBL5632317 | 0.77 | — | — | |
| SCHEMBL12531873 | 0.76 | ERCC1 (0.38) | — | |
| SCHEMBL16921975 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL10265493 | 0.76 | CACNA1B (0.39) | — |
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-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 |