⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7555974 | 0.73 | — | — | |
| SCHEMBL4723002 | 0.73 | — | — | |
| SCHEMBL15256705 | 0.65 | — | — | |
| SCHEMBL16369338 | 0.65 | — | — | |
| SCHEMBL685459 | 0.65 | — | — | |
| SCHEMBL3956349 | 0.62 | — | — | |
| SCHEMBL9698528 | 0.60 | — | — | |
| SCHEMBL7515507 | 0.60 | — | — | |
| SCHEMBL7158758 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL20328583 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326822-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | Esperion Therapeutics Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002030860-A2 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2002-04-18 | — | — | WO | disclosed |
| US-6288059-B1 | ANTIASTHMATIC, ANTIALLERGEN AGENTS; URINARY INCONTINENCE; NATURAL KILLER CELL RECEPTOR AND TACHYKININ ANTAGONISTS | SANKYO COMPANY, LIMITED (JP) | 2001-09-11 | — | — | US | disclosed |
| US-5670489-A | USEFUL IN TREATMENT OF DISEASES WHICH ARE MODULATED BY PROTEINS, OR IN TREATMENT OF VIRUSES SUCH AS INFLUENZA, HERPES, AND HIV | NOVARTIS CORPORATION (US) | 1997-09-23 | — | — | US | disclosed |
| US-5466677-A | Dinucleoside phosphinates and their pharmaceutical compositions | CIBA-GEIGY CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |
| EP-0614907-A1 | Dinucleotide and oligonucleotide analogues | CIBA-GEIGY AG (CH) | 1994-09-14 | — | — | EP | disclosed |