⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13306572 | 0.76 | KDM4E (0.38) | — | |
| SCHEMBL24110823 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL20830615 | 0.67 | MAOA (0.38) | — | |
| SCHEMBL17118301 | 0.57 | NPC1 (0.34) | — | |
| SCHEMBL14424505 | 0.57 | ALDH1A1 (0.48) | — | |
| Phthalic Acid SCHEMBL9722583 | 0.57 | ALDH1A1 (0.70) | — | |
| Phthalic Acid SCHEMBL7192838 | 0.57 | ALDH1A1 (0.70) | — | |
| SCHEMBL25111375 | 0.56 | KMT2A (0.47) | — | |
| SCHEMBL107161 | 0.56 | MEN1 (0.40) | — | |
| SCHEMBL29434165 | 0.56 | MEN1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3135740-A1 | CURABLE COMPOSITION, ESPECIALLY FOR RUBBER TO SUBSTRATE BONDING | Henkel AG & Co. KGaA (DE) | 2017-03-01 | — | — | EP | disclosed |