⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30029079 | 0.81 | — | — | |
| SCHEMBL29173973 | 0.78 | MAPT (0.46) | — | |
| SCHEMBL11798963 | 0.77 | — | — | |
| SCHEMBL27656972 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL27554888 | 0.73 | — | — | |
| SCHEMBL27418634 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL5697006 | 0.71 | — | — | |
| SCHEMBL11766451 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL17866352 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL27456134 | 0.69 | ALDH1A1 (0.39) | — |
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-4454297-A | POLYEPOXIDES; ENCAPSULATION; ADHESIVES | TEXACO INC. (US) | 1984-06-12 | — | — | US | disclosed |