⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12437990 | 0.81 | BTN3A1 (0.45) | — | |
| SCHEMBL12438012 | 0.76 | — | — | |
| SCHEMBL12438019 | 0.68 | MVD (0.31) | — | |
| SCHEMBL12437992 | 0.63 | BHMT (0.31) | — | |
| SCHEMBL17378645 | 0.61 | — | — | |
| SCHEMBL31707442 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL31707464 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL17044657 | 0.58 | TSHR (0.44) | — | |
| SCHEMBL28154956 | 0.56 | TSHR (0.58) | — | |
| SCHEMBL27940802 | 0.56 | TSHR (0.52) | — |
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-20110178043-A1 | Inhibitors of the mevalonate pathway of streptococcus pneumoniae | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-07-21 | — | — | US | disclosed |