⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13589342 | 0.79 | PDCD1 (0.32) | — | |
| SCHEMBL30139970 | 0.72 | CYP3A4 (0.33) | — | |
| SCHEMBL24633078 | 0.72 | CFTR (0.31) | — | |
| SCHEMBL23096934 | 0.72 | KDM1A (0.34) | — | |
| SCHEMBL13782279 | 0.72 | CFTR (0.31) | — | |
| SCHEMBL12327855 | 0.71 | — | — | |
| SCHEMBL5545795 | 0.70 | CFTR (0.44) | — | |
| SCHEMBL29805714 | 0.69 | KDM1A (0.32) | — | |
| SCHEMBL14974744 | 0.68 | CFTR (0.32) | — | |
| SCHEMBL28480148 | 0.66 | LMNA (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402468-B | Biphenylnitrile derivative with AIE and ESIPT characteristics and synthetic method and application thereof | 山西大学 | 2022-07-19 | — | — | CN | disclosed |
| US-8383656-B2 | Thiazolidinedione energy restriction-mimetic agents | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2013-02-26 | — | — | US | disclosed |
| US-6340772-B2 | AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE | NIPPON KAYAKU CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| US-20010020112-A1 | Process for preparing (hetero) aromatic substituted benzene derivatives | TOYA TETSUYA (JP) | 2001-09-06 | — | — | US | disclosed |
| US-6271418-B1 | AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE DERIVATIVES. | NIPPON KAYAKU CO., LTD. (JP) | 2001-08-07 | — | — | US | disclosed |