Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of N,N-Dimethylethanaminium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL10773222 | 0.96 | ALDH1A1 (0.50) | — | |
| N,N-Dimethylethanaminium SCHEMBL11766416 | 0.86 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.85 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.85 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.85 | TSHR (0.36) | — | |
| Heptane SCHEMBL5406737 | 0.83 | DNM1 (0.55) | — | |
| N,N-Dimethylethanaminium SCHEMBL10457755 | 0.81 | MAPT (0.37) | — | |
| N,N-Dimethylethanaminium SCHEMBL6719982 | 0.81 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL6577702 | 0.80 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2382280 | 0.80 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080064777-A1 | BLOWING AGENT, PROCESS FOR PREPARING RIGID POLYURETHANE FOAM OR POLYISOCYANURATE FOAM, AND FOAM PREPARED THEREBY | CENTRAL GLASS CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |
| US-7326362-B2 | Blowing agent, premix and process for preparing rigid polyurethane foam or polyisocyanurate foam | CENTRAL GLASS COMPANY, LIMITED (JP) | 2008-02-05 | — | — | US | disclosed |
| EP-1304349-B1 | Blowing agent for preparing rigid polyurethane foam | CENTRAL GLASS CO LTD (JP) | 2007-12-05 | — | — | EP | disclosed |
| US-7294623-B2 | Benzyl morpholine derivatives | ELI LILLY AND COMPANY (US) | 2007-11-13 | — | — | US | disclosed |
| US-20060014843-A1 | Vapor pressure depressant and use thereof | DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-01-19 | — | — | US | disclosed |
| EP-1561793-A1 | VAPOR PRESSURE DEPRESSANT AND USE THEREOF | Daihachi Chemical Industry Co., Ltd. (JP) | 2005-08-10 | — | — | EP | disclosed |
| US-20030078312-A1 | Blowing agent, premix and process for preparing rigid polyurethane foam or polyisocyanurate foam | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-04-24 | — | — | US | disclosed |
| EP-1304349-A1 | Blowing agent for preparing rigid polyurethane foam | Central Glass Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |