⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7366713 | 0.43 | — | — | |
| SCHEMBL7366717 | 0.43 | — | — | |
| Water SCHEMBL8079813 | 0.35 | — | — | |
| Bromide SCHEMBL21804716 | 0.34 | — | — | |
| Naphthalene SCHEMBL7123239 | 0.33 | CYP2A6 (0.89) | — | |
| Benzene SCHEMBL6152477 | 0.29 | — | — | |
| Benzene SCHEMBL8992260 | 0.29 | TSHR (0.75) | — | |
| SCHEMBL30977781 | 0.28 | HPRT1 (0.57) | — | |
| Triphenylene SCHEMBL311118 | 0.28 | HPRT1 (0.57) | — | |
| SCHEMBL1005012 | 0.28 | MEN1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080219962-A1 | Method to Enhance the Bone Formation Activity of Bmp by Runx2 Acetylation | BIORUNX CO., LTD. (KR) | 2008-09-11 | — | — | US | disclosed |