⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23077773 | 0.81 | — | — | |
| Trimethylammonium SCHEMBL25390275 | 0.78 | PIK3CD (0.41) | — | |
| SCHEMBL9949293 | 0.76 | PIK3CD (0.31) | — | |
| SCHEMBL20496299 | 0.76 | CA12 (0.39) | — | |
| Methyl Alcohol SCHEMBL1405842 | 0.73 | — | — | |
| Hydrogen Peroxide SCHEMBL6441406 | 0.73 | — | — | |
| SCHEMBL251442 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.73 | — | — | |
| SCHEMBL31050067 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL2405349 | 0.70 | — | — |
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-20190225650-A1 | PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA | AILERON THERAPEUTICS, INC. | 2019-07-25 | — | — | US | disclosed |
| US-10246491-B2 | Peptidomimetic macrocycles and use thereof in regulating HIF1alpha | AILERON THERAPEUTICS, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-20170349638-A1 | COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. | 2017-12-07 | — | — | US | disclosed |