⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL553900 | 1.00 | — | — | |
| SCHEMBL8402309 | 1.00 | — | — | |
| SCHEMBL27814874 | 0.98 | TDP1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL9225324 | 0.98 | TDP1 (0.38) | — | |
| Dimethylamine SCHEMBL28317955 | 0.93 | TDP1 (0.35) | — | |
| SCHEMBL29015020 | 0.86 | TDP1 (0.36) | — | |
| SCHEMBL3230815 | 0.81 | HSD17B10 (0.39) | — | |
| SCHEMBL3804215 | 0.80 | — | — | |
| SCHEMBL17183778 | 0.80 | SLC7A5 (0.41) | — | |
| SCHEMBL24475200 | 0.79 | — | — |
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 |