⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10968333 | 1.00 | — | — | |
| SCHEMBL4631620 | 0.69 | — | — | |
| SCHEMBL16097232 | 0.69 | — | — | |
| SCHEMBL4631614 | 0.69 | — | — | |
| SCHEMBL16097234 | 0.69 | — | — | |
| SCHEMBL11657315 | 0.69 | — | — | |
| SCHEMBL27847419 | 0.69 | — | — | |
| SCHEMBL2904913 | 0.69 | — | — | |
| SCHEMBL9856399 | 0.69 | — | — | |
| SCHEMBL9856396 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4548812-A | COMPLEX OF HEXAMETHYLENE TETRAMINE WITH HALOGENATED ALLYL HALIDE | FOLEY LARY L | 1985-10-22 | — | — | US | disclosed |
| US-4456722-A | SKIN DISORDERS | FOLEY LARY L | 1984-06-26 | — | — | US | disclosed |