⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6035256 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL5153120 | 0.67 | — | — | |
| Thiazolidinedione SCHEMBL9784317 | 0.64 | MGAM (0.42) | — | |
| SCHEMBL7214854 | 0.60 | ALDH1A1 (0.38) | — | |
| SCHEMBL29385734 | 0.57 | CES1 (0.45) | — | |
| SCHEMBL249997 | 0.57 | CES1 (0.45) | — | |
| SCHEMBL2926757 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL6487919 | 0.56 | CES1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL2710070 | 0.56 | MEN1 (0.43) | — | |
| SCHEMBL30862184 | 0.56 | CES1 (0.43) | — |
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-5463031-A | Printing, dyeing cellulose and organonitrogen compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |