⚠ 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 SCHEMBL28929577 | 0.98 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL47365 | 0.93 | EPHX1 (0.61) | — | |
| SCHEMBL7877130 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL22394902 | 0.88 | — | — | |
| SCHEMBL4679015 | 0.82 | NAAA (0.50) | — | |
| SCHEMBL25990500 | 0.80 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL47355 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL47341 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL13432005 | 0.79 | NAAA (0.56) | — | |
| SCHEMBL4678443 | 0.77 | NAAA (0.55) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7446097-B2 | Conjugates of immune cell specific macrolide compounds with anti-inflammatory compounds for improved cellular targeting of anti-inflammatory therapy | GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O (HR) | 2008-11-04 | — | — | US | disclosed |