⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL445431 | 0.75 | — | — | |
| SCHEMBL1638911 | 0.74 | — | — | |
| SCHEMBL22093047 | 0.72 | — | — | |
| Ethane SCHEMBL28059641 | 0.72 | GNAI3 (0.31) | — | |
| Piperazine SCHEMBL28094340 | 0.72 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27720435 | 0.72 | GNAI3 (0.35) | — | |
| SCHEMBL7069918 | 0.70 | — | — | |
| SCHEMBL9556920 | 0.70 | — | — | |
| SCHEMBL11757056 | 0.70 | — | — | |
| SCHEMBL27672429 | 0.70 | GNAI3 (0.34) | — |
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-1984355-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | Takeda Pharmaceutical Company Limited (JP) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007094513-A2 | CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-23 | — | — | WO | disclosed |