⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16967420 | 1.00 | — | — | |
| SCHEMBL20893684 | 1.00 | — | — | |
| SCHEMBL19341731 | 1.00 | — | — | |
| SCHEMBL20554516 | 1.00 | — | — | |
| SCHEMBL120968 | 1.00 | — | — | |
| SCHEMBL7207320 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7206500 | 0.97 | THRB (0.47) | — | |
| Hydrochloric Acid SCHEMBL7206505 | 0.97 | THRB (0.47) | — | |
| SCHEMBL20680439 | 0.88 | THRB (0.40) | — | |
| SCHEMBL15506651 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10336668-B2 | Method for producing cis- and trans-enriched MDACH | BASF SE (DE) | 2019-07-02 | — | — | US | disclosed |
| EP-2905273-B1 | Process for hydrogenating aromatic di- and polyamines | COVESTRO DEUTSCHLAND AG (DE) | 2018-06-06 | — | — | EP | disclosed |
| WO-2018050554-A1 | CYANOETHYLATED METHYLCYCLOHEXANE DIAMINE (MCDA) AND TOLUENE DIAMINE (TDA) DERIVATIVES | BASF SE (DE) | 2018-03-22 | — | — | WO | disclosed |
| US-20170260115-A1 | METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH | BASF SE (DE) | 2017-09-14 | — | — | US | disclosed |
| US-20170260115-A1 | METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH | BASF SE (DE) | 2017-09-14 | — | — | US | disclosed |
| EP-2905272-B1 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | COVESTRO DEUTSCHLAND AG (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-9403754-B2 | Process for hydrogenating aromatic di- and polyamines | BAYER MATERIALSCIENCE AG (DE) | 2016-08-02 | — | — | US | disclosed |
| US-9278906-B2 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | BAYER MATERIALSCIENCE AG (DE) | 2016-03-08 | — | — | US | disclosed |
| EP-2905272-A1 | Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines | Bayer MaterialScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |
| EP-2905273-A1 | Process for hydrogenating aromatic di- and polyamines | Bayer MaterialScience AG (DE) | 2015-08-12 | — | — | EP | disclosed |
| US-20150218082-A1 | PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES | COVESTRO DEUTSCHLAND AG (DE) | 2015-08-06 | — | — | US | disclosed |
| US-20150218083-A1 | PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES TO CYCLOALIPHATIC DI- AND POLYAMINES | COVESTRO DEUTSCHLAND AG (DE) | 2015-08-06 | — | — | US | disclosed |
| EP-0780340-B1 | Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith | AMCOL INTERNATIONAL CORP (US) | 2002-03-20 | — | — | EP | disclosed |