⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7998698 | 0.87 | CYP17A1 (0.35) | — | |
| SCHEMBL7990341 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL8002255 | 0.84 | EGFR (0.32) | — | |
| SCHEMBL7999093 | 0.83 | — | — | |
| SCHEMBL8001913 | 0.83 | TSHR (0.34) | — | |
| SCHEMBL8002371 | 0.83 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7998640 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL8004871 | 0.82 | MAPT (0.37) | — | |
| SCHEMBL8002032 | 0.81 | LMNA (0.43) | — | |
| SCHEMBL8005167 | 0.81 | PRMT5 (0.31) | — |
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-6294536-B1 | CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION | TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) | 2001-09-25 | — | — | US | disclosed |