⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14654189 | 0.84 | — | — | |
| SCHEMBL153943 | 0.56 | TSHR (0.67) | — | |
| Hydrochloric Acid SCHEMBL2801770 | 0.54 | TSHR (0.62) | — | |
| Bromide SCHEMBL7630752 | 0.54 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL6241253 | 0.54 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL9647124 | 0.52 | TSHR (0.59) | — | |
| SCHEMBL29449705 | 0.52 | POLB (0.60) | — | |
| SCHEMBL8127892 | 0.52 | — | — | |
| Dimethylamine SCHEMBL6816000 | 0.51 | — | — | |
| Dimethylamine SCHEMBL9877923 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1753757-B1 | SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES | GRUENENTHAL GMBH (DE) | 2008-12-10 | — | — | EP | disclosed |
| US-7304159-B2 | Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins | SHELL OIL COMPANY (US) | 2007-12-04 | — | — | US | disclosed |
| US-20070135403-A1 | Substituted 2,5-diaminomethyl-1H-pyrrole compounds | GRUENENTHAL GMBH (DE) | 2007-06-14 | — | — | US | disclosed |
| EP-1427740-B1 | LIGANDS AND CATALYST SYSTEMS THEREOF FOR ETHYLENE OLIGOMERISATION TO LINEAR ALPHA OLEFINS RUNG | SHELL INT RESEARCH (NL) | 2006-11-02 | — | — | EP | disclosed |
| US-7049442-B2 | Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins | SHELL OIL COMPANY (US) | 2006-05-23 | — | — | US | disclosed |
| US-20050159601-A1 | Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins | DE BOER ERIC J M (NL) | 2005-07-21 | — | — | US | disclosed |
| US-20030119921-A1 | Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins | SHELL OIL COMPANY | 2003-06-26 | — | — | US | disclosed |