⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28457634 | 0.82 | ALDH1A1 (0.62) | — | |
| SCHEMBL5678782 | 0.82 | — | — | |
| SCHEMBL5210259 | 0.82 | — | — | |
| SCHEMBL6897108 | 0.82 | — | — | |
| SCHEMBL171318 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10764012 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL25625512 | 0.77 | — | — | |
| SCHEMBL637922 | 0.77 | — | — | |
| SCHEMBL28109510 | 0.77 | — | — | |
| SCHEMBL16899653 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2840622-B1 | Electronic or optoelectronic device comprising an anchored thin molecular layer, process for its preparation and compound used therein | NOVALED GMBH (DE) | 2019-02-13 | — | — | EP | disclosed |
| US-20170152287-A1 | METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS | UNIVERSITY OF ROCHESTER | 2017-06-01 | — | — | US | disclosed |
| US-9557336-B2 | Methods and compositions for site-specific labeling of peptides and proteins | UNIVERSITY OF ROCHESTER (US) | 2017-01-31 | — | — | US | disclosed |
| US-20150241440-A1 | METHODS AND COMPOSITIONS FOR SITE-SPECIFIC LABELING OF PEPTIDES AND PROTEINS | NATIONAL SCIENCE FOUNDATION | 2015-08-27 | — | — | US | disclosed |