⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8675426 | 0.86 | — | — | |
| SCHEMBL22361684 | 0.80 | — | — | |
| SCHEMBL12654313 | 0.80 | — | — | |
| SCHEMBL12654751 | 0.77 | — | — | |
| SCHEMBL15378098 | 0.77 | — | — | |
| SCHEMBL12654533 | 0.77 | — | — | |
| SCHEMBL14311287 | 0.77 | — | — | |
| SCHEMBL12663292 | 0.77 | NOS3 (0.37) | — | |
| SCHEMBL18791360 | 0.74 | — | — | |
| SCHEMBL13479968 | 0.74 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0866055-B1 | Pocess for the preparation of 1-amino-1-methyl-3(4)-aminomethylcyclohexane | BAYER AG (DE) | 2002-07-03 | — | — | EP | claimed |
| US-5905170-A | SIMULTANEOUSLY REACTING 4(5)-AMINOEMTHYL-1-METHYLCYCLOHEXANE, HYDROCYANIC ACID AND AQUEOUS SULFURIC ACID TO FORM 1-FORMAMIDO-1-METHYL-3(4)-AMINOMETHYLCYCLOHEXANE, HYDROLYZING THE FORMAMIDE AND HYDROCYANIC ACID, ADDING A BASE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-05-18 | — | — | US | claimed |
| EP-0866055-A2 | Pocess for the preparation of 1-amino-1-mentyl-3(4)-aminomethylcyclohexane | BAYER AG (DE) | 1998-09-23 | — | — | EP | claimed |
| EP-0866055-B1 | Pocess for the preparation of 1-amino-1-methyl-3(4)-aminomethylcyclohexane | BAYER AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| US-5905170-A | SIMULTANEOUSLY REACTING 4(5)-AMINOEMTHYL-1-METHYLCYCLOHEXANE, HYDROCYANIC ACID AND AQUEOUS SULFURIC ACID TO FORM 1-FORMAMIDO-1-METHYL-3(4)-AMINOMETHYLCYCLOHEXANE, HYDROLYZING THE FORMAMIDE AND HYDROCYANIC ACID, ADDING A BASE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-05-18 | — | — | US | disclosed |
| US-5905170-A | SIMULTANEOUSLY REACTING 4(5)-AMINOEMTHYL-1-METHYLCYCLOHEXANE, HYDROCYANIC ACID AND AQUEOUS SULFURIC ACID TO FORM 1-FORMAMIDO-1-METHYL-3(4)-AMINOMETHYLCYCLOHEXANE, HYDROLYZING THE FORMAMIDE AND HYDROCYANIC ACID, ADDING A BASE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-05-18 | — | — | US | disclosed |
| EP-0866055-A2 | Pocess for the preparation of 1-amino-1-mentyl-3(4)-aminomethylcyclohexane | BAYER AG (DE) | 1998-09-23 | — | — | EP | disclosed |
| US-4851531-A | Isocyanurate group-containing polyisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| EP-0193828-B1 | POLYISOCYANATES CONTAINING ISOCYANURATE GROUPS, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ISOCYANATE COMPONENTS IN THE PRODUCTION OF POLYURETHANE LACQUERS | BAYER AG (DE) | 1988-04-27 | — | — | EP | disclosed |
| EP-0153561-B1 | DIISOCYANATES AND THEIR USE IN THE PRODUCTION OF POLYURETHANE PLASTICS | BAYER AG (DE) | 1987-08-12 | — | — | EP | disclosed |
| EP-0224165-A2 | Process for the preparation of polyisocyanates containing isocyanurate groups, and their use as isocyanurate components in polyurethane lacquers | BAYER AG (DE) | 1987-06-03 | — | — | EP | disclosed |
| EP-0193828-A1 | Polyisocyanates containing isocyanurate groups, process for their production and their use as isocyanate components in the production of polyurethane lacquers | BAYER AG (DE) | 1986-09-10 | — | — | EP | disclosed |
| EP-0153561-A1 | Diisocyanates and their use in the production of polyurethane plastics | BAYER AG (DE) | 1985-09-04 | — | — | EP | disclosed |