⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4870075 | 0.81 | — | — | |
| SCHEMBL4866266 | 0.81 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL14008530 | 0.71 | FDPS (0.35) | — | |
| SCHEMBL13024053 | 0.71 | FDPS (0.35) | — | |
| SCHEMBL4873342 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4864264 | 0.70 | HRH3 (0.33) | — | |
| SCHEMBL4875652 | 0.70 | HRH3 (0.33) | — | |
| SCHEMBL4864379 | 0.69 | — | — | |
| SCHEMBL4873469 | 0.69 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL2167974 | 0.69 | SMN1; SMN2 (0.36) | — |
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-7335781-B2 | Aminothiol compound | HUEY JIIN CO., LTD. (TW) | 2008-02-26 | — | — | US | disclosed |
| US-20040181057-A1 | perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries | HUEY JIIN CO., LTD. (TW) | 2004-09-16 | — | — | US | disclosed |