⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10770752 | 0.68 | AKR1B1 (0.31) | — | |
| SCHEMBL6596474 | 0.64 | — | — | |
| SCHEMBL4486855 | 0.64 | — | — | |
| SCHEMBL29414131 | 0.61 | AKR1B1 (0.39) | — | |
| SCHEMBL8086934 | 0.60 | — | — | |
| SCHEMBL692710 | 0.59 | GABRA5 (0.36) | — | |
| SCHEMBL6679099 | 0.59 | — | — | |
| SCHEMBL23829540 | 0.58 | — | — | |
| SCHEMBL48554 | 0.57 | AKR1B1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL367129 | 0.56 | AKR1B1 (0.58) | — |
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-6028090-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |