⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30165654 | 0.73 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL705238 | 0.71 | — | — | |
| SCHEMBL11307457 | 0.71 | LDHA (0.33) | — | |
| SCHEMBL7255121 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL30165656 | 0.64 | CTSK (0.33) | — | |
| SCHEMBL28518124 | 0.64 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL23699031 | 0.62 | — | — | |
| SCHEMBL7412590 | 0.62 | — | — | |
| SCHEMBL577114 | 0.62 | — | — | |
| SCHEMBL23691043 | 0.62 | — | — |
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-20100234538-A1 | POLYAMIDE | TEIJIN LIMITED (JP) | 2010-09-16 | — | — | US | disclosed |