⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20628700 | 0.84 | — | — | |
| SCHEMBL22642160 | 0.74 | NOS3 (0.37) | — | |
| SCHEMBL24269374 | 0.72 | — | — | |
| SCHEMBL10055778 | 0.70 | — | — | |
| SCHEMBL16769255 | 0.70 | — | — | |
| SCHEMBL14197001 | 0.70 | — | — | |
| SCHEMBL13531 | 0.65 | — | — | |
| SCHEMBL24002169 | 0.65 | — | — | |
| SCHEMBL23745484 | 0.65 | — | — | |
| SCHEMBL15087637 | 0.64 | CA1 (0.33) | — |
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-2610241-A1 | Process for production of hydroxyadamantaneamine | SHIONOGI & CO., LTD. (JP) | 2013-07-03 | — | — | EP | disclosed |
| WO-2011037833-A2 | NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-03-31 | — | — | WO | disclosed |