⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11435938 | 0.83 | MAPT (0.53) | — | |
| SCHEMBL12922047 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL3786605 | 0.79 | MAPT (0.41) | — | |
| SCHEMBL8940388 | 0.79 | P2RX1 (0.46) | — | |
| SCHEMBL11527116 | 0.78 | MAPT (0.67) | — | |
| SCHEMBL4074665 | 0.78 | ACMSD (0.54) | — | |
| SCHEMBL18352945 | 0.78 | CHEK1 (0.40) | — | |
| SCHEMBL13098794 | 0.77 | HSD17B1 (0.52) | — | |
| SCHEMBL2477386 | 0.76 | HDAC7 (0.53) | — | |
| SCHEMBL2937585 | 0.76 | BAZ2B (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013066440-A9 | TREATMENT OF BREAST CANCER | MEDIVATION PROSTATE THERAPEUTICS, INC. (US) | 2013-07-18 | — | — | WO | disclosed |
| WO-2013066440-A1 | TREATMENT OF BREAST CANCER | MEDIVATION PROSTATE THERAPEUTICS, INC. (US) | 2013-05-10 | — | — | WO | disclosed |