⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29504670 | 0.82 | — | — | |
| SCHEMBL29531218 | 0.78 | — | — | |
| SCHEMBL65664 | 0.78 | — | — | |
| SCHEMBL15561907 | 0.78 | KDM4E (0.50) | — | |
| Hydrochloric Acid SCHEMBL29077445 | 0.76 | — | — | |
| Bromide SCHEMBL34472696 | 0.76 | KDM4E (0.48) | — | |
| SCHEMBL30065146 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7736230 | 0.76 | KDM4E (0.48) | — | |
| Hydrochloric Acid SCHEMBL10488706 | 0.76 | KDM4E (0.48) | — | |
| Hydrochloric Acid SCHEMBL8914539 | 0.76 | — | — |
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-20240336642-A1 | INHIBITORS OF 12/15-LIPOXYGENASE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2024-10-10 | — | — | US | disclosed |