⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24048 | 1.00 | — | — | |
| SCHEMBL3551198 | 0.85 | — | — | |
| SCHEMBL20239650 | 0.83 | ANPEP (0.33) | — | |
| SCHEMBL20239652 | 0.83 | ANPEP (0.33) | — | |
| SCHEMBL12164095 | 0.82 | — | — | |
| SCHEMBL12088533 | 0.82 | — | — | |
| Carbamic Acid SCHEMBL9066418 | 0.80 | ENPEP (0.41) | — | |
| SCHEMBL1060739 | 0.72 | — | — | |
| SCHEMBL22941912 | 0.72 | — | — | |
| SCHEMBL22875963 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101511799-B | Cyclic amine compound | DAIICHI SANKYO CO LTD | 2012-05-30 | — | — | CN | disclosed |
| WO-2009020887-A1 | METHODS AND SYSTEMS OF CALCULATING DIFFERENCES OF BINDING AFFINITIES BETWEEN CONGENERIC PAIRS OF LIGANDS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-02-12 | — | — | WO | disclosed |