⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15080602 | 0.72 | — | — | |
| SCHEMBL7765007 | 0.69 | TP53 (0.32) | — | |
| SCHEMBL19242954 | 0.57 | — | — | |
| SCHEMBL14360218 | 0.56 | KMT2A (0.40) | — | |
| SCHEMBL14564023 | 0.56 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL14564026 | 0.56 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL14564038 | 0.56 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL14564025 | 0.56 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL14564179 | 0.56 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12931788 | 0.56 | TNKS (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 |
|---|---|---|---|---|---|---|---|
| EP-0639566-B1 | CYCLIC COMPOUND | SANTEN PHARMACEUTICAL CO LTD (JP) | 2001-06-20 | — | — | EP | disclosed |
| US-5461158-A | Immunodeficiency and autoimmune diseases | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1995-10-24 | — | — | US | disclosed |
| EP-0639566-A1 | CYCLIC COMPOUND | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1995-02-22 | — | — | EP | disclosed |