⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16851570 | 1.00 | — | — | |
| SCHEMBL16851546 | 1.00 | — | — | |
| SCHEMBL16851631 | 0.82 | — | — | |
| SCHEMBL16851639 | 0.82 | — | — | |
| SCHEMBL15582748 | 0.79 | — | — | |
| SCHEMBL15582599 | 0.79 | — | — | |
| SCHEMBL8302237 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL24443098 | 0.76 | NPC1 (0.30) | — | |
| SCHEMBL20799347 | 0.76 | — | — | |
| SCHEMBL16851569 | 0.74 | ALDH1A1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334866-A1 | CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS | SOVA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| US-9771339-B2 | Cystathionine-γ-lyase (CSE) inhibitors | SOVA PHARMACEUTICALS, INC. (US) | 2017-09-26 | — | — | US | disclosed |
| US-20150272934-A1 | USE OF CSE INHIBITORS FOR THE TREATMENT OF CUTANEOUS INJURIES OR CONDITIONS AND SLEEP-RELATED BREATHING DISORDERS | SOVA PHARMACEUTICALS, INC. | 2015-10-01 | — | — | US | disclosed |
| US-20150175561-A1 | CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS | SOVA PHARMACEUTICALS, INC. (US) | 2015-06-25 | — | — | US | disclosed |