⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL727450 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL12932504 | 0.76 | — | — | |
| SCHEMBL727443 | 0.76 | POLB (0.37) | — | |
| SCHEMBL12932490 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL12932507 | 0.74 | — | — | |
| SCHEMBL1616226 | 0.73 | GLI1 (0.33) | — | |
| SCHEMBL16407816 | 0.73 | PTPN1 (0.31) | — | |
| SCHEMBL16370052 | 0.73 | PTPN1 (0.31) | — | |
| SCHEMBL605248 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL12932492 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110295038-A1 | Process for the Preparation of Substituted 1-aminomethyl-2-phenyl-cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2011-12-01 | — | — | US | disclosed |
| WO-2011147576-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 1-AMINOMETHYL-2-PHENYL-CYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2011-12-01 | — | — | WO | disclosed |