⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069860 | 0.78 | — | — | |
| SCHEMBL8099925 | 0.74 | CDK5 (0.30) | — | |
| SCHEMBL8060812 | 0.74 | — | — | |
| SCHEMBL8100256 | 0.74 | — | — | |
| SCHEMBL8071259 | 0.73 | — | — | |
| SCHEMBL8100132 | 0.71 | — | — | |
| SCHEMBL7808560 | 0.66 | — | — | |
| SCHEMBL7805960 | 0.61 | — | — | |
| SCHEMBL7466547 | 0.60 | — | — | |
| SCHEMBL27872693 | 0.59 | MAPT (0.35) | — |
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-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |