⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7202635 | 0.78 | — | — | |
| SCHEMBL9868986 | 0.64 | — | — | |
| SCHEMBL4146105 | 0.61 | — | — | |
| SCHEMBL11426676 | 0.56 | — | — | |
| SCHEMBL6051450 | 0.56 | — | — | |
| SCHEMBL12221453 | 0.56 | — | — | |
| SCHEMBL6051456 | 0.56 | — | — | |
| SCHEMBL4311579 | 0.55 | CYP2C9 (0.33) | — | |
| SCHEMBL14220785 | 0.54 | — | — | |
| SCHEMBL4318926 | 0.53 | MAPK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3094619-B1 | HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN | MASSACHUSETTS GEN HOSPITAL (US) | 2019-07-31 | — | — | EP | disclosed |
| WO-2015106240-A1 | HETEROARYL DISULFIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR INCREASING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN | THE GENERAL HOSPITAL CORPORATION (US) | 2015-07-16 | — | — | WO | disclosed |