⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5477100 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL5474368 | 0.84 | ALDH1A1 (0.45) | — | |
| SCHEMBL4847322 | 0.80 | HSD17B10 (0.65) | — | |
| SCHEMBL4846677 | 0.78 | HPRT1 (0.78) | — | |
| SCHEMBL4853390 | 0.78 | HPRT1 (0.78) | — | |
| SCHEMBL4852645 | 0.78 | HSD17B10 (0.70) | — | |
| SCHEMBL4851746 | 0.78 | ALDH1A1 (0.62) | — | |
| Pyrene SCHEMBL3213947 | 0.78 | ALDH1A1 (0.73) | — | |
| SCHEMBL2539042 | 0.78 | ALDH1A1 (0.73) | — | |
| Pyrene SCHEMBL30114786 | 0.78 | ALDH1A1 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2038041-A2 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | Myriad Genetics, Inc. (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2007134298-A2 | THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER | MYRIAD GENETICS, INC. (US) | 2007-11-22 | — | — | WO | disclosed |