⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8010134 | 1.00 | — | — | |
| SCHEMBL7715423 | 1.00 | — | — | |
| SCHEMBL7715428 | 1.00 | — | — | |
| SCHEMBL28683784 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL12538369 | 0.96 | — | — | |
| SCHEMBL23710662 | 0.89 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL27966144 | 0.85 | SLC7A5 (0.32) | — | |
| SCHEMBL571185 | 0.84 | — | — | |
| SCHEMBL23655459 | 0.77 | — | — | |
| SCHEMBL9909824 | 0.77 | — | — |
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-2021136429-A1 | BENZOPYRAZOLE COMPOUND | 南京明德新药研发有限公司 | 2021-07-08 | — | — | WO | disclosed |
| 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 |