⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21680824 | 0.79 | — | — | |
| SCHEMBL462879 | 0.77 | — | — | |
| SCHEMBL11677024 | 0.75 | — | — | |
| SCHEMBL22961141 | 0.75 | — | — | |
| SCHEMBL3967703 | 0.75 | — | — | |
| SCHEMBL11636188 | 0.75 | — | — | |
| SCHEMBL48475 | 0.75 | — | — | |
| SCHEMBL8707631 | 0.75 | — | — | |
| SCHEMBL28965040 | 0.75 | MAPT (0.46) | — | |
| SCHEMBL7060256 | 0.74 | USP2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4128723-A | BACTERICIDE | E. R. SQUIBB & SONS, INC. (US) | 1978-12-05 | — | — | US | disclosed |
| US-4096329-A | BACTERICIDES | E. R. SQUIBB & SONS, INC. (US) | 1978-06-20 | — | — | US | disclosed |