⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19754064 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL14946322 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL19754075 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL3691247 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL14946323 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL9964282 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL15765583 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL12404744 | 0.71 | LMNA (0.47) | — | |
| SCHEMBL16243281 | 0.70 | LMNA (0.34) | — | |
| SCHEMBL20215740 | 0.69 | P2RY6 (0.34) | — |
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-20170368177-A1 | NOVEL PEG DERIVATIVE | DELTA-FLY PHARMA, INC. (JP) | 2017-12-28 | — | — | US | disclosed |