⚠ 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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL11511669 | 0.94 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL460669 | 0.94 | ALOX15 (1.00) | — | |
| Hydroquinone SCHEMBL15516 | 0.94 | — | — | |
| Hydroquinone SCHEMBL1549444 | 0.89 | — | — | |
| Hydroquinone SCHEMBL9857917 | 0.89 | ALOX15 (0.89) | — | |
| Hydroquinone SCHEMBL8353108 | 0.89 | ALOX15 (0.89) | — | |
| Hydroquinone SCHEMBL3959471 | 0.89 | — | — | |
| Hydroquinone SCHEMBL11552027 | 0.89 | — | — | |
| Hydroquinone SCHEMBL20580953 | 0.89 | — | — | |
| Hydroquinone SCHEMBL7116773 | 0.89 | ALOX15 (0.89) | — |
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-5795922-A | Bone cement composistion containing microencapsulated radiopacifier and method of making same | CLEMSON UNIVERSITY (US) | 1998-08-18 | — | — | US | disclosed |