⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27587973 | 0.97 | — | — | |
| SCHEMBL6840593 | 0.74 | — | — | |
| SCHEMBL1361550 | 0.71 | — | — | |
| SCHEMBL29622855 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL31661041 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL1899035 | 0.69 | — | — | |
| SCHEMBL8334187 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5332895 | 0.69 | — | — | |
| SCHEMBL133660 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4194327 | 0.69 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996912-A | Iminothiolanone inhibitors of ENPP1 | 沃拉斯查疗法公司 | 2023-04-21 | — | — | CN | disclosed |
| US-6255120-B1 | HYDROXYAMIDES ATTACHED TO SOLID SUPPORT | PHARMACOPEIA, INC. | 2001-07-03 | — | — | US | disclosed |