⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7532190 | 1.00 | — | — | |
| SCHEMBL7532185 | 1.00 | — | — | |
| Methacrylic Acid SCHEMBL3856543 | 0.85 | ALDH1A1 (0.37) | — | |
| SCHEMBL6263196 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL6263199 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL7620117 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL2044682 | 0.79 | — | — | |
| SCHEMBL2044684 | 0.79 | — | — | |
| SCHEMBL7190081 | 0.79 | — | — | |
| SCHEMBL2486060 | 0.79 | — | — |
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-20170115563-A1 | ENERGY-SENSITIVE RESIN COMPOSITION | TOKYO OHKA KOGYO CO., LTD. (JP) | 2017-04-27 | — | — | US | disclosed |
| US-20130216479-A1 | SITE-SPECIFIC CHEMICAL MODIFICATION OF PROTEINS AT THEIR N-TERMINI, ENABLING THE FORMATION OF HOMOGENEOUS ADDUCTS | ADVANCED PROTEOME THERAPEUTICS, INC. | 2013-08-22 | — | — | US | disclosed |
| US-8431521-B2 | Site-specific chemical modification of proteins at their N-termini, enabling the formation of homogeneous adducts | ADVANCED PROTEOME THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | disclosed |