⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2565706 | 0.90 | SIGMAR1 (0.30) | — | |
| SCHEMBL29222448 | 0.66 | LMNA (0.39) | — | |
| SCHEMBL29206952 | 0.64 | SIGMAR1 (0.40) | — | |
| SCHEMBL4464812 | 0.64 | SHBG (0.31) | — | |
| SCHEMBL28859417 | 0.62 | SHBG (0.39) | — | |
| SCHEMBL19298161 | 0.62 | SHBG (0.39) | — | |
| SCHEMBL29322013 | 0.62 | SHBG (0.39) | — | |
| SCHEMBL475684 | 0.62 | — | — | |
| SCHEMBL29109625 | 0.62 | SLC6A4 (0.30) | — | |
| SCHEMBL7458659 | 0.61 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747451-A2 | POINT OF CARE HEPARIN DETERMINATION SYSTEM | Medtronic, Inc. (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005116623-A2 | POINT OF CARE HEPARIN DETERMINATION SYSTEM | MEDTRONIC, INC. (US) | 2005-12-08 | — | — | WO | disclosed |