⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10723687 | 0.97 | KDM4E (0.56) | — | |
| SCHEMBL9536247 | 0.86 | HMGCR (0.55) | — | |
| SCHEMBL21690012 | 0.79 | — | — | |
| SCHEMBL5324328 | 0.79 | — | — | |
| SCHEMBL7341356 | 0.79 | — | — | |
| SCHEMBL25295848 | 0.79 | — | — | |
| SCHEMBL289136 | 0.79 | — | — | |
| SCHEMBL8532783 | 0.77 | — | — | |
| SCHEMBL2039161 | 0.77 | KDM4E (0.45) | — | |
| SCHEMBL704537 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003666-B2 | Hydrate for medical purposes | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-08-23 | — | — | US | disclosed |
| US-8003666-B2 | Hydrate for medical purposes | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-08-23 | — | — | US | disclosed |
| US-20100234410-A1 | HYDRATE FOR MEDICAL PURPOSES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-09-16 | — | — | US | disclosed |
| US-20100234410-A1 | HYDRATE FOR MEDICAL PURPOSES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-09-16 | — | — | US | disclosed |
| US-20070258899-A1 | Diagnostic and therapeutic agents | KARYON-CTT LTD (FI) | 2007-11-08 | — | — | US | disclosed |
| WO-2007113385-A1 | DIAGNOSTIC AND THERAPEUTIC AGENTS | KARYON-CTT LTD (FI) | 2007-10-11 | — | — | WO | disclosed |
| EP-0876161-A2 | CONTRAST MEDIA | NYCOMED SALUTAR, INC. (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997026921-A2 | CONTRAST MEDIA | NYCOMED SALUTAR INC. (US) | 1997-07-31 | — | — | WO | disclosed |