⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45517 | 0.83 | — | — | |
| SCHEMBL8651577 | 0.83 | — | — | |
| SCHEMBL1469789 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL45544 | 0.78 | — | — | |
| SCHEMBL19523377 | 0.74 | TDP1 (0.36) | — | |
| SCHEMBL504033 | 0.74 | — | — | |
| SCHEMBL11631694 | 0.73 | — | — | |
| SCHEMBL11738708 | 0.73 | — | — | |
| SCHEMBL11736407 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2103164 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005026223-A1 | NOVEL COPOLYMER AND CEMENT ADDITIVE COMPRISING THE SAME | PERSTORP SPECIALTY CHEMICALS AB (SE) | 2005-03-24 | — | — | WO | disclosed |