⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23829540 | 0.62 | — | — | |
| SCHEMBL10770752 | 0.60 | AKR1B1 (0.31) | — | |
| SCHEMBL692710 | 0.59 | GABRA5 (0.36) | — | |
| SCHEMBL48554 | 0.57 | AKR1B1 (0.61) | — | |
| SCHEMBL987989 | 0.56 | AKR1B1 (0.58) | — | |
| Hydrochloric Acid SCHEMBL11097357 | 0.56 | AKR1B1 (0.58) | — | |
| SCHEMBL22528255 | 0.55 | AKR1B1 (0.46) | — | |
| SCHEMBL583915 | 0.55 | AKR1B1 (0.60) | — | |
| SCHEMBL29048386 | 0.55 | AKR1B1 (0.52) | — | |
| SCHEMBL7122558 | 0.55 | CYP1A2 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0980366-B1 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2004-06-09 | — | — | EP | claimed |
| EP-0980366-B1 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2004-06-09 | — | — | EP | disclosed |