⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11672945 | 0.76 | POLB (0.54) | — | |
| SCHEMBL4433091 | 0.76 | POLB (0.54) | — | |
| SCHEMBL4745042 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL1373270 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL2152786 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL10439981 | 0.71 | CA12 (0.33) | — | |
| SCHEMBL28057658 | 0.71 | PARP1 (0.35) | — | |
| SCHEMBL1374635 | 0.71 | SNCA (0.35) | — | |
| SCHEMBL5502033 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL27965475 | 0.71 | LMNA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5697985-A | PREPARING AQUEOUS SLURRY OF ALKALI METAL SALT OF AZO DIRECT DYE, ADDING VISCOSITY ENHANCING AGENT | BAYER CORPORATION (US) | 1997-12-16 | — | — | US | disclosed |