⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49927 | 0.97 | — | — | |
| SCHEMBL29505543 | 0.97 | — | — | |
| Resorcinol SCHEMBL29270362 | 0.94 | ALDH1A1 (0.67) | — | |
| SCHEMBL28644412 | 0.94 | — | — | |
| Formaldehyde SCHEMBL27718761 | 0.90 | ALDH1A1 (0.52) | — | |
| Phenol SCHEMBL6638822 | 0.90 | CA12 (0.55) | — | |
| SCHEMBL27494644 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL11797909 | 0.84 | TSHR (0.74) | — | |
| SCHEMBL8207447 | 0.82 | HSD17B1 (0.65) | — | |
| SCHEMBL7928206 | 0.82 | ALOX15 (0.46) | — |
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-20090023840-A1 | LATENT CATALYST FOR EPOXY RESIN, EPOXY RESIN COMPOSITION, AND SEMICONDUCTOR DEVICE | HORIMOTO AKIHIRO | 2009-01-22 | — | — | US | disclosed |