⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270008 | 0.79 | — | — | |
| SCHEMBL947177 | 0.77 | — | — | |
| SCHEMBL4967243 | 0.77 | — | — | |
| SCHEMBL28804397 | 0.77 | MEN1 (0.52) | — | |
| SCHEMBL4651571 | 0.76 | MEN1 (0.56) | — | |
| SCHEMBL229328 | 0.75 | NPC1 (1.00) | — | |
| SCHEMBL31560044 | 0.75 | NPC1 (1.00) | — | |
| SCHEMBL9394256 | 0.75 | NPC1 (1.00) | — | |
| SCHEMBL229329 | 0.75 | NPC1 (1.00) | — | |
| SCHEMBL8670245 | 0.74 | MEN1 (0.54) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102803204-A | Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds | GILEAD COLORADO INC | 2012-11-28 | — | — | CN | claimed |
| EP-2576576-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | The Royal Institution for the Advancement of Learning/McGill University (CA) | 2013-04-10 | — | — | EP | disclosed |
| CN-102803204-A | Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds | GILEAD COLORADO INC | 2012-11-28 | — | — | CN | disclosed |
| WO-2011147038-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2011-12-01 | — | — | WO | disclosed |