⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1476498 | 0.74 | — | — | |
| SCHEMBL31363274 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5356449 | 0.73 | LMNA (0.41) | — | |
| SCHEMBL11247588 | 0.73 | — | — | |
| SCHEMBL6902313 | 0.73 | — | — | |
| SCHEMBL18499575 | 0.73 | — | — | |
| Bromide SCHEMBL8843008 | 0.71 | — | — | |
| SCHEMBL6041345 | 0.71 | L3MBTL1 (0.37) | — | |
| Bromide SCHEMBL5202548 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31522188 | 0.71 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023108602-A1 | INTERMEDIATE OF EDOXABAN TOSYLATE AND PREPARATION METHOD THEREFOR | 浙江九洲药业股份有限公司 | 2023-06-22 | — | — | WO | disclosed |
| US-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| US-20080131389-A1 | Hair Relaxer | SHOWA DENKO K.K. (JP) | 2008-06-05 | — | — | US | disclosed |