⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25232357 | 0.81 | — | — | |
| SCHEMBL284840 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL13228527 | 0.80 | DGAT1 (0.37) | — | |
| SCHEMBL16173770 | 0.79 | — | — | |
| SCHEMBL8209270 | 0.78 | CYP4F2 (0.48) | — | |
| SCHEMBL12331935 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL5981343 | 0.75 | — | — | |
| SCHEMBL13918256 | 0.74 | — | — | |
| SCHEMBL18084166 | 0.72 | GAA (0.36) | — | |
| SCHEMBL9710090 | 0.72 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013072838-A1 | CATIONIC ANTIBACTERIAL COMPOSITION | JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2013-05-23 | — | — | WO | disclosed |