⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11261513 | 0.72 | — | — | |
| SCHEMBL11270922 | 0.72 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL11264354 | 0.71 | — | — | |
| SCHEMBL11270920 | 0.68 | CCNE1 (0.35) | — | |
| SCHEMBL11256041 | 0.67 | POLB (0.30) | — | |
| SCHEMBL11262762 | 0.67 | HTR2C (0.35) | — | |
| SCHEMBL11264141 | 0.64 | HTR2C (0.43) | — | |
| Hydrochloric Acid SCHEMBL11255073 | 0.64 | RAD52 (0.44) | — | |
| SCHEMBL11261132 | 0.63 | TP53 (0.31) | — | |
| SCHEMBL11264978 | 0.62 | DRD2 (0.44) | — |
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-4344946-A | ANTIARTHRITICS, ANTIRHEUMATICS | BOEHRINGER INGELHEIM GMBH (DE) | 1982-08-17 | — | — | US | disclosed |