⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28434847 | 0.94 | PTPN1 (0.30) | — | |
| SCHEMBL28433221 | 0.94 | PTPN1 (0.30) | — | |
| SCHEMBL28431805 | 0.83 | — | — | |
| SCHEMBL28436155 | 0.77 | — | — | |
| SCHEMBL27406817 | 0.77 | — | — | |
| SCHEMBL28439197 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL11582079 | 0.71 | — | — | |
| SCHEMBL10970892 | 0.71 | — | — | |
| SCHEMBL31281053 | 0.66 | — | — | |
| SCHEMBL27497658 | 0.66 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111094375-B | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学株式会社 | 2022-04-01 | — | — | CN | disclosed |
| CN-111094375-A | Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same | 广荣化学工业株式会社 | 2020-05-01 | — | — | CN | disclosed |