⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2324937 | 1.00 | — | — | |
| SCHEMBL2360388 | 0.93 | — | — | |
| SCHEMBL3828461 | 0.93 | SCN9A (0.30) | — | |
| SCHEMBL3828466 | 0.93 | SCN9A (0.30) | — | |
| SCHEMBL3111278 | 0.87 | KCNH2 (0.35) | — | |
| SCHEMBL3111268 | 0.87 | KCNH2 (0.35) | — | |
| SCHEMBL3111272 | 0.87 | KCNH2 (0.35) | — | |
| SCHEMBL2539003 | 0.85 | DPP4 (0.31) | — | |
| SCHEMBL2538995 | 0.85 | DPP4 (0.31) | — | |
| SCHEMBL2541819 | 0.81 | SCN9A (0.32) | — |
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-8193179-B2 | 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives | ACTELION PHARMACEUTICALS, LTD (CH) | 2012-06-05 | — | — | US | disclosed |
| EP-2167494-B1 | 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-08-17 | — | — | EP | disclosed |
| US-20100179135-A1 | 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-15 | — | — | US | disclosed |