⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4754857 | 0.70 | — | — | |
| SCHEMBL1424347 | 0.66 | — | — | |
| SCHEMBL15911896 | 0.64 | — | — | |
| SCHEMBL31474 | 0.57 | — | — | |
| SCHEMBL5547 | 0.57 | — | — | |
| SCHEMBL25226804 | 0.53 | — | — | |
| Ammonia Solution, Strong SCHEMBL1073019 | 0.53 | — | — | |
| SCHEMBL15710446 | 0.53 | — | — | |
| SCHEMBL20472787 | 0.53 | THRB (0.39) | — | |
| SCHEMBL11363285 | 0.53 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385823-B1 | GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS | CHIRON CORP (US) | 2006-12-13 | — | — | EP | claimed |
| EP-1751090-A1 | ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES | Grünenthal GmbH (DE) | 2007-02-14 | — | — | EP | disclosed |
| EP-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110973-A1 | ACID DERIVATIVES OF SUBSTITUTED CYCLOHEXYL-1,4-DIAMINES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |