⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8844557 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL6462068 | 0.64 | — | — | |
| SCHEMBL1101108 | 0.64 | — | — | |
| SCHEMBL3450771 | 0.62 | — | — | |
| SCHEMBL10623629 | 0.61 | — | — | |
| SCHEMBL1876497 | 0.61 | — | — | |
| SCHEMBL6035256 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL3727972 | 0.58 | — | — | |
| SCHEMBL3949270 | 0.57 | — | — | |
| SCHEMBL1022167 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010005715-A1 | Metal ion complexing agents | TSIVION YORAM (IL) | 2001-06-28 | — | — | US | disclosed |
| US-4011181-A | POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES | OLIN CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |