⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12348845 | 0.70 | DGAT1 (0.31) | — | |
| SCHEMBL1091554 | 0.70 | KDM4E (0.38) | — | |
| SCHEMBL1091552 | 0.70 | FFAR3 (0.41) | — | |
| SCHEMBL13252944 | 0.69 | DGAT1 (0.30) | — | |
| SCHEMBL31566909 | 0.68 | — | — | |
| SCHEMBL25094225 | 0.67 | — | — | |
| SCHEMBL12261108 | 0.65 | — | — | |
| SCHEMBL4695822 | 0.65 | — | — | |
| SCHEMBL2082199 | 0.65 | — | — | |
| SCHEMBL9961417 | 0.65 | NPSR1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120122854-A1 | Carbocyclic Fused Cyclic Amines | BOEHRINGER MARKUS (CH) | 2012-05-17 | — | — | US | disclosed |
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20070049587-A1 | Factor Xa inhibitors | HOFFMANN-LA ROCHE INC. | 2007-03-01 | — | — | US | disclosed |
| US-20070015812-A1 | Factor Xa inhibitors | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-01-18 | — | — | US | disclosed |