⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19947449 | 1.00 | — | — | |
| SCHEMBL5220062 | 1.00 | — | — | |
| SCHEMBL28846416 | 0.97 | MAOB (0.50) | — | |
| SCHEMBL28029067 | 0.97 | MAOB (0.50) | — | |
| SCHEMBL27806310 | 0.97 | MAOB (0.50) | — | |
| Water SCHEMBL10818602 | 0.97 | MAOB (0.50) | — | |
| Hydrochloric Acid SCHEMBL8582482 | 0.97 | MAOB (0.50) | — | |
| Bromide SCHEMBL8581856 | 0.97 | MAOB (0.50) | — | |
| Water SCHEMBL10818606 | 0.97 | MAOB (0.50) | — | |
| Hydrochloric Acid SCHEMBL8580561 | 0.97 | MAOB (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019180653-A1 | COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS | INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) | 2019-09-26 | — | — | WO | disclosed |
| US-20090275043-A1 | Genetic variants in the TCF7L2 gene as diagnostic markers for risk of type 2 diabetes mellitus | DECODE GENETICS EHF. (IS) | 2009-11-05 | — | — | US | disclosed |
| US-20070135499-A1 | Hydrazide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | US | disclosed |
| WO-2007008942-A2 | PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES | AERIE PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |