⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250913 | 0.70 | — | — | |
| Boric Acid SCHEMBL3057794 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL5017131 | 0.67 | — | — | |
| SCHEMBL5839937 | 0.67 | — | — | |
| SCHEMBL13017802 | 0.67 | — | — | |
| SCHEMBL17996064 | 0.67 | — | — | |
| SCHEMBL8559538 | 0.67 | — | — | |
| Water SCHEMBL2702771 | 0.67 | — | — | |
| SCHEMBL28904060 | 0.67 | — | — | |
| Alcohol SCHEMBL2081525 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022146277-A1 | COMPOUND OF ELEMENT ACID, WHICH IS IN ALLOTROPIC FORM, WHICH ENTERS INTO CELLULAR INTERACTION IN SOME BONE DISEASES | CELAL BAYAR UNIVERSITESI DIGER MERKEZLER MUDURLUGU (TR) | 2022-07-07 | — | — | WO | disclosed |