⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4301151 | 0.81 | — | — | |
| SCHEMBL11605004 | 0.79 | — | — | |
| SCHEMBL19313095 | 0.71 | — | — | |
| SCHEMBL475622 | 0.69 | — | — | |
| SCHEMBL2020974 | 0.69 | — | — | |
| SCHEMBL8303206 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL15100 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL989854 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28507752 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1159516 | 0.67 | — | — |
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-20150045312-A1 | Use of Compounds Elevating Glutathione Levels for the Treatment of Autism, Autistic Spectrum Disorders and Fragile X Syndrome | PROMENTIS PHARMACEUTICALS, INC. | 2015-02-12 | — | — | US | disclosed |
| US-8624052-B2 | S-t-butyl protected cysteine di-peptide analogs and related compounds | PROMENTIS PHARMACEUTICALS, INC. (US) | 2014-01-07 | — | — | US | disclosed |
| US-20120122792-A1 | S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS | PROMENTIS PHARMACEUTICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |