⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1575804 | 0.73 | CALM1 (0.53) | — | |
| SCHEMBL4981463 | 0.71 | CES1 (0.60) | — | |
| Bromide SCHEMBL25375048 | 0.71 | CALM1 (0.50) | — | |
| Hydrogen Peroxide SCHEMBL10839871 | 0.69 | TDP1 (0.71) | — | |
| Diphenylmethane SCHEMBL10394702 | 0.69 | CALM1 (0.92) | — | |
| Hydrogen Peroxide SCHEMBL10839772 | 0.69 | TDP1 (0.71) | — | |
| SCHEMBL8477190 | 0.69 | — | — | |
| SCHEMBL17596168 | 0.69 | — | — | |
| SCHEMBL3200564 | 0.69 | — | — | |
| SCHEMBL29892302 | 0.69 | — | — |
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-4918047-A | CONTAINING OXYSALICYLIC ACID DERIVATIVE AND ZINC COMPOUND | FUJI PHOTO FILM CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |