⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20040532 | 0.83 | — | — | |
| SCHEMBL17277100 | 0.82 | — | — | |
| SCHEMBL17277099 | 0.82 | — | — | |
| SCHEMBL3999046 | 0.80 | — | — | |
| SCHEMBL16701120 | 0.77 | — | — | |
| SCHEMBL16730723 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL12604977 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL3585924 | 0.70 | — | — | |
| SCHEMBL1257740 | 0.70 | — | — | |
| SCHEMBL22791553 | 0.70 | ALDH1A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1009732-B1 | 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS | MERZ & CO GMBH & CO (DE) | 2003-05-21 | — | — | EP | disclosed |
| EP-1009732-A2 | 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS | MERZ + CO. GmbH & Co. (DE) | 2000-06-21 | — | — | EP | disclosed |
| US-6071966-A | ADMINISTERING TO LIVING ANIMAL 1-AMINOALKYLCYCLOHEXANE COMPOUND FOR ALLEVIATION OF CONDITION WHICH IS ALLEVIATED BY N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST, OR FOR ITS IMMUNOMODULATORY, ANTIMALARIAL, ANTI-BORNA VIRUS EFFECTS | MERZ + CO. GMBH & CO. (DE) | 2000-06-06 | — | — | US | disclosed |
| US-6034134-A | 1-Amino-alkylcyclohexane NMDA receptor antagonists | MERZ + CO. GMBH & CO. (DE) | 2000-03-07 | — | — | US | disclosed |
| WO-1999001416-A2 | 1-AMINO-ALKYLCYCLOHEXANE NMDA RECEPTOR ANTAGONISTS | MERZ + CO. GMBH & CO. (DE) | 1999-01-14 | — | — | WO | disclosed |