⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10763725 | 0.80 | — | — | |
| SCHEMBL9935418 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL15384753 | 0.77 | — | — | |
| SCHEMBL17702121 | 0.77 | — | — | |
| SCHEMBL4043116 | 0.73 | — | — | |
| SCHEMBL471716 | 0.73 | — | — | |
| SCHEMBL822919 | 0.73 | — | — | |
| Methane SCHEMBL2313551 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL7591312 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL7294031 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017198780-A1 | IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS | ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) | 2017-11-23 | — | — | WO | disclosed |
| EP-2359862-B1 | Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents | INTEZYNE TECHNOLOGIES INC (US) | 2013-07-24 | — | — | EP | disclosed |
| US-20120070593-A1 | PARTIALLY HYDROGENATED BISPHENOL-A-BASED POLYMERS AS SUBSTITUTES FOR BISPHENOL-A-BASED POLYMERS | EMPIRE TECHNOLOGY DEVELOPMENT LLC | 2012-03-22 | — | — | US | disclosed |