⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119178 | 1.00 | — | — | |
| SCHEMBL8005094 | 1.00 | — | — | |
| SCHEMBL8255750 | 1.00 | — | — | |
| SCHEMBL31611656 | 0.82 | AKR1B1 (0.37) | — | |
| SCHEMBL3857933 | 0.82 | AKR1B1 (0.37) | — | |
| SCHEMBL23072256 | 0.82 | AKR1B1 (0.37) | — | |
| SCHEMBL12396667 | 0.82 | AKR1B1 (0.37) | — | |
| SCHEMBL1547638 | 0.82 | AKR1B1 (0.37) | — | |
| SCHEMBL2431203 | 0.82 | AKR1B1 (0.32) | — | |
| Acetic Acid SCHEMBL9577824 | 0.77 | CA1 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236960-B2 | Synthesis of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy) phenylmethyl)carbamide and its tartrate salt and crystalline forms | ACADIA PHARMACEUTICALS INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-20110243863-A1 | Cosmetic And/Or Pharmaceutical Formulations | COGNIS IP MANAGEMENT GMBH (DE) | 2011-10-06 | — | — | US | disclosed |
| US-7923564-B2 | Synthesis of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy) phenylmethyl)carbamide and its tartrate salt and crystalline forms | ACADIA PHARMACEUTICALS, INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-20110039950-A1 | Alkyl and/or Alkenyl Ethers of Alkyl and/or Alkenyl (Poly)Glycosides and Their Use | COGNIS IP MANAGEMENT GMBH (DE) | 2011-02-17 | — | — | US | disclosed |
| US-20100305329-A1 | Synthesis of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy) phenylmethyl)carbamide and its Tartrate Salt and Crystalline Forms | ACADIA PHARMACEUTICALS INC. | 2010-12-02 | — | — | US | disclosed |
| US-7732615-B2 | N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and crystalline forms | ACADIA PHARMACEUTICALS INC. (US) | 2010-06-08 | — | — | US | disclosed |
| US-20080279792-A1 | Cosmetic And Dermatological Self-Tanning Formulations Comprising Dihydroxyacetone And Glycerin | BEIERSDORF AG (DE) | 2008-11-13 | — | — | US | disclosed |