⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10767752 | 0.81 | — | — | |
| SCHEMBL10403137 | 0.79 | KMT2A (0.37) | — | |
| SCHEMBL10403614 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL10403434 | 0.76 | KMT2A (0.37) | — | |
| SCHEMBL10403063 | 0.69 | KDM4E (0.40) | — | |
| SCHEMBL10403061 | 0.69 | KDM4E (0.40) | — | |
| SCHEMBL10401908 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL10401930 | 0.64 | KDM4E (0.35) | — | |
| SCHEMBL12263493 | 0.62 | NPC1 (0.36) | — | |
| SCHEMBL1241938 | 0.60 | POLB (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0226896-A2 | Lankacidin derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1987-07-01 | — | — | EP | disclosed |