⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12657953 | 0.80 | — | — | |
| SCHEMBL28094291 | 0.78 | — | — | |
| SCHEMBL18822817 | 0.78 | — | — | |
| SCHEMBL10386164 | 0.74 | — | — | |
| SCHEMBL26966083 | 0.72 | — | — | |
| SCHEMBL26966442 | 0.72 | — | — | |
| SCHEMBL23156976 | 0.72 | FDPS (0.39) | — | |
| SCHEMBL8463789 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11441803 | 0.71 | — | — | |
| SCHEMBL20879329 | 0.69 | ALOX15 (0.61) | — |
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-5932636-A | AN IONIC RESIN CONTAINING ARALKYLATED EPOXY RESINS FROM A BISPHENOL SUBSTITUTED WITH ARALKYL GROUP, MODIFIED BY AMINE IN PRESENCE OF AN OLEFINIC MONOMER IS DISPERSED IN WATER, POLYMERIZING THE OLEFIN IN PRESENCE OF BLOCKED POLYISOCYANATE | VIANOVA RESINS GMBH (DE) | 1999-08-03 | — | — | US | disclosed |