⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12906709 | 0.94 | — | — | |
| SCHEMBL19550911 | 0.94 | — | — | |
| SCHEMBL124218 | 0.94 | — | — | |
| SCHEMBL122714 | 0.94 | — | — | |
| SCHEMBL11377504 | 0.94 | — | — | |
| SCHEMBL8173625 | 0.94 | — | — | |
| SCHEMBL19551074 | 0.94 | — | — | |
| SCHEMBL9987268 | 0.90 | ALDH1A1 (0.41) | — | |
| SCHEMBL128736 | 0.88 | — | — | |
| SCHEMBL216077 | 0.88 | — | — |
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-2019192533-A1 | ESTROGEN RECEPTOR DEGRADING AGENT FOR TREATING BREAST CANCER | 深圳福沃药业有限公司 | 2019-10-10 | — | — | WO | claimed |
| EP-0880503-A1 | BALANOL ANALOGUES | Phytera Symbion ApS (DK) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997029091-A1 | BALANOL ANALOGUES | PHYTERA SYMBION APS (DK) | 1997-08-14 | — | — | WO | disclosed |