⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11391925 | 0.78 | — | — | |
| SCHEMBL3722290 | 0.58 | — | — | |
| SCHEMBL5928592 | 0.58 | — | — | |
| SCHEMBL23611618 | 0.49 | NOTUM (0.33) | — | |
| SCHEMBL5535740 | 0.49 | — | — | |
| Benzene SCHEMBL3866563 | 0.45 | LMNA (0.60) | — | |
| Benzene SCHEMBL27563833 | 0.45 | FFAR3 (0.70) | — | |
| Benzene SCHEMBL27462723 | 0.45 | FFAR3 (0.70) | — | |
| Acetic Acid SCHEMBL52435 | 0.43 | — | — | |
| Acetic Acid SCHEMBL3636519 | 0.43 | FFAR3 (0.88) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2396314-A1 | PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS | AstraZeneca AB (SE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010092387-A1 | PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS | ASTRAZENECA AB (SE) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010011570-A1 | ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2010-01-28 | — | — | WO | disclosed |