⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL706065 | 0.78 | CHRM1 (0.35) | — | |
| Ethylene Glycol SCHEMBL7866285 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL1115846 | 0.72 | — | — | |
| SCHEMBL3445647 | 0.69 | — | — | |
| SCHEMBL11665912 | 0.67 | — | — | |
| SCHEMBL3769450 | 0.66 | MAPK1 (0.31) | — | |
| SCHEMBL16179185 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL2288162 | 0.64 | — | — | |
| SCHEMBL1100984 | 0.64 | — | — | |
| SCHEMBL11103823 | 0.63 | — | — |
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-1986607-A2 | METHOD AND PROCESS FOR PREPARING CARDIOLIPIN | Neopharm, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007100808-A2 | METHOD AND PROCESS FOR PREPARING CARDIOLIPIN | NEOPHARM, INC. (US) | 2007-09-07 | — | — | WO | disclosed |