⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4491657 | 1.00 | — | — | |
| SCHEMBL3292593 | 0.84 | PTPN1 (0.38) | — | |
| SCHEMBL3292591 | 0.84 | PTPN1 (0.38) | — | |
| SCHEMBL3286303 | 0.83 | PTPN1 (0.39) | — | |
| SCHEMBL4477988 | 0.83 | PTPN1 (0.40) | — | |
| SCHEMBL4477990 | 0.83 | PTPN1 (0.40) | — | |
| SCHEMBL3286301 | 0.83 | PTPN1 (0.39) | — | |
| SCHEMBL4470946 | 0.81 | PTPN1 (0.38) | — | |
| SCHEMBL4470949 | 0.81 | PTPN1 (0.38) | — | |
| SCHEMBL4486636 | 0.81 | PTPN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7557123-B2 | Heterocyclic compound and medicinal use thereof | KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 2009-07-07 | — | — | US | disclosed |
| US-20040220215-A1 | Novel heterocyclic compound and medicinal use thereof | KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 2004-11-04 | — | — | US | disclosed |
| EP-1403253-A1 | NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | Kyoto Pharmaceutical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |