⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1079057 | 1.00 | — | — | |
| SCHEMBL3344507 | 1.00 | — | — | |
| Dimethylamine SCHEMBL8211843 | 0.91 | PGK1 (0.47) | — | |
| SCHEMBL7159089 | 0.86 | MAPK1 (0.40) | — | |
| SCHEMBL120836 | 0.84 | TDP1 (0.47) | — | |
| Methacrylic Acid SCHEMBL29122893 | 0.84 | PGK1 (0.50) | — | |
| SCHEMBL1628016 | 0.83 | TDP1 (0.46) | — | |
| SCHEMBL1447095 | 0.83 | TDP1 (0.46) | — | |
| SCHEMBL759100 | 0.81 | — | — | |
| SCHEMBL7157943 | 0.81 | TSHR (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085080-A1 | METHOD OF DETECTING A PROTEOLYTIC ENZYME BY MEANS OF GOLD NANOPARTICLES- CATALYZED AMPLIFICATION OF A SIGNAL | UNIVERSITA' DEGLI STUDI DI PADOVA (IT) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085080-A1 | METHOD OF DETECTING A PROTEOLYTIC ENZYME BY MEANS OF GOLD NANOPARTICLES- CATALYZED AMPLIFICATION OF A SIGNAL | UNIVERSITA' DEGLI STUDI DI PADOVA (IT) | 2012-06-28 | — | — | WO | disclosed |
| US-20100160369-A1 | S1P1 Agonists and Methods of Making And Using | EXELIXIS, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010065760-A1 | IMIDAZO [1,2A] PYRIDINE DERIVATIVES, THEIR USE AS S1P1 AGONISTS AND METHODS FOR THEIR PRODUCTION | EXELIXIS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |