⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12753953 | 1.00 | — | — | |
| SCHEMBL12374865 | 1.00 | — | — | |
| SCHEMBL12009607 | 0.88 | LMNA (0.38) | — | |
| SCHEMBL12009606 | 0.88 | LMNA (0.38) | — | |
| SCHEMBL12753933 | 0.88 | LMNA (0.38) | — | |
| SCHEMBL12374861 | 0.88 | LMNA (0.38) | — | |
| SCHEMBL17768273 | 0.82 | — | — | |
| SCHEMBL2922286 | 0.79 | GSR (0.35) | — | |
| SCHEMBL3064346 | 0.79 | GSR (0.35) | — | |
| SCHEMBL2930597 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8119806-B2 | Cicletanine derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |
| US-20110077279-A1 | ANGIOTENSIN II RECEPTOR ANTAGONISTS | NICOX S.A. (FR) | 2011-03-31 | — | — | US | disclosed |
| US-20100029678-A1 | DIURETICS | MERCK SHARP & DOHME CORP. | 2010-02-04 | — | — | US | disclosed |