⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6578426 | 0.79 | — | — | |
| SCHEMBL1652590 | 0.77 | — | — | |
| Ethylene SCHEMBL27457192 | 0.75 | HSD17B10 (0.50) | — | |
| Water SCHEMBL27989114 | 0.75 | — | — | |
| Propene SCHEMBL6919336 | 0.73 | HSD17B10 (0.47) | — | |
| SCHEMBL23183254 | 0.73 | — | — | |
| Acetic Acid SCHEMBL28594437 | 0.73 | HSD17B10 (0.48) | — | |
| SCHEMBL29972 | 0.71 | — | — | |
| SCHEMBL27437745 | 0.71 | TDP1 (0.60) | — | |
| SCHEMBL27766983 | 0.71 | HSD17B10 (0.45) | — |
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-9260390-B2 | Aromatic amine derivatives and organic electroluminescent elements using same | IDEMITSU KOSAN CO., LTD. (JP) | 2016-02-16 | — | — | US | disclosed |