⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1234810 | 0.92 | MAPT (0.42) | — | |
| SCHEMBL5668812 | 0.92 | — | — | |
| SCHEMBL14973454 | 0.90 | KDM1A (0.50) | — | |
| SCHEMBL7144001 | 0.90 | MAPT (0.41) | — | |
| SCHEMBL1053967 | 0.90 | MAPT (0.41) | — | |
| SCHEMBL28927594 | 0.90 | MAPT (0.41) | — | |
| SCHEMBL14973453 | 0.90 | KDM1A (0.50) | — | |
| SCHEMBL18532859 | 0.89 | ESR2 (0.38) | — | |
| SCHEMBL121088 | 0.86 | — | — | |
| SCHEMBL6856181 | 0.86 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103443075-A | Pyrrole derivatives as nicotinic acetylcholine receptor modulators for use in the treatment of neurodegenerative disorders such as alzheimer's and parkinson's disease | LUPIN LTD | 2013-12-11 | — | — | CN | disclosed |
| CN-1097595-C | Process for preparing olefin polymers using metallocene catalysts | LG CHEMICAL LTD (KR) | 2003-01-01 | — | — | CN | disclosed |
| WO-1999048890-A1 | HERBICIDAL TETRAZOLINONES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-30 | — | — | WO | disclosed |
| CN-1202910-A | Process for preparing olefin polymers using metallocene catalysts | LG CHEMICAL LTD (KR) | 1998-12-23 | — | — | CN | disclosed |