⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17201196 | 0.78 | — | — | |
| SCHEMBL17799 | 0.78 | — | — | |
| SCHEMBL8513721 | 0.77 | GAA (0.47) | — | |
| SCHEMBL502306 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7501190 | 0.76 | GAA (0.50) | — | |
| SCHEMBL4166547 | 0.76 | — | — | |
| SCHEMBL2643692 | 0.76 | — | — | |
| SCHEMBL244807 | 0.76 | GAA (0.50) | — | |
| SCHEMBL453214 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL244808 | 0.76 | GAA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134629-A1 | NUCLEAR TRANSPORT REGULATOR AND USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2010132999-A1 | METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS | CHLORION PHARMA, INC. (CA) | 2010-11-25 | — | — | WO | disclosed |