⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5443031 | 0.84 | GRM4 (0.41) | — | |
| SCHEMBL22813192 | 0.81 | GRM4 (0.39) | — | |
| SCHEMBL10825782 | 0.81 | GRM4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL30866177 | 0.81 | GRM4 (0.39) | — | |
| SCHEMBL2551795 | 0.78 | — | — | |
| SCHEMBL14420440 | 0.77 | GRM4 (0.41) | — | |
| SCHEMBL23660602 | 0.75 | GRM4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL853939 | 0.75 | — | — | |
| SCHEMBL1068834 | 0.75 | — | — | |
| SCHEMBL19184821 | 0.73 | TSHR (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6717014-B1 | REACTING AMINES WITH ALPHA-, OMEGA - DIHALOALKANES OR ALKENES; LOW COST; SAFE | FMC CORPORATION | 2004-04-06 | — | — | US | disclosed |
| US-6482944-B2 | BY DIRECT REACTION OF AN AMINE WITH AN ALPHA, GAMMA-DIHALOALKANE OR AN ALPHA, GAMMA-DIHALOALKENE; TERTIARY AMINOALKYLORGANOMETALLICS CAN BE MADE BY THEN REACTING THE TERT HALOALKYLAMINES WITH AN ALKALI METALS | FMC CORPORATION | 2002-11-19 | — | — | US | disclosed |
| US-20010023305-A1 | Processes for preparing haloamines and tertiary aminoalkylorganometallic compounds | FMC CORPORATION | 2001-09-20 | — | — | US | disclosed |