⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1315706 | 1.00 | — | — | |
| SCHEMBL319728 | 1.00 | — | — | |
| SCHEMBL14344159 | 0.98 | TSHR (0.58) | — | |
| Ammonia Solution, Strong SCHEMBL28050078 | 0.98 | TSHR (0.58) | — | |
| Hydrogen Sulfide SCHEMBL28195736 | 0.98 | TSHR (0.58) | — | |
| SCHEMBL7447123 | 0.98 | TSHR (0.58) | — | |
| Dimethylamine SCHEMBL28317954 | 0.96 | TSHR (0.56) | — | |
| Acetone SCHEMBL28215913 | 0.96 | TSHR (0.56) | — | |
| Phosphonic Acid SCHEMBL18424925 | 0.92 | TSHR (0.52) | — | |
| Sulfuric Acid SCHEMBL6253912 | 0.92 | TSHR (0.52) | — |
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-5994560-A | UTILIZES POLYMERS CONTAINING CHIRAL MOIETIES IN THEIR REPEAT UNITS AS WELL AS EXHIBITING CRITICAL SOLUTION TEMPERATURE BEHAVIOR IN A SUITABLE SOLVENT. RESOLUTION OF TRYPTOPHAN, PHENYLALANINE OR GLUTAMIC ACID. | HOECHST CELANESE CORP. (US) | 1999-11-30 | — | — | US | disclosed |
| US-5739383-A | Resolution of racemic mixtures using polymers containing chiral units | HOECHST CELANESE CORP. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1998008787-A2 | RESOLUTION OF RACEMIC MIXTURES USING POLYMERS CONTAINING CHIRAL UNITS | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-05 | — | — | WO | disclosed |