⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2720155 | 0.78 | — | — | |
| SCHEMBL28496240 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL5431872 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL646847 | 0.74 | — | — | |
| SCHEMBL9165301 | 0.73 | — | — | |
| SCHEMBL6055330 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL2675755 | 0.73 | — | — | |
| SCHEMBL9368819 | 0.73 | — | — | |
| SCHEMBL28915925 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL7748956 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050136003-A1 | Novel chemical agents comprising a cardiotonic moiety and an imaging moiety and methods of their use | LANTHEUS MEDICAL IMAGING, INC. | 2005-06-23 | — | — | US | disclosed |
| WO-2005042033-A1 | NOVEL CHEMICAL AGENTS COMPRISING A CARDIOTONIC MOIETY AND AN IMAGING MOIETY AND METHODS OF THEIR USE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-05-12 | — | — | WO | disclosed |