⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18537431 | 0.83 | CA1 (0.31) | — | |
| SCHEMBL23338063 | 0.78 | — | — | |
| SCHEMBL23676392 | 0.78 | — | — | |
| SCHEMBL24771960 | 0.76 | EPHX1 (0.32) | — | |
| SCHEMBL18535367 | 0.73 | CA1 (0.36) | — | |
| SCHEMBL22183086 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL23676371 | 0.71 | — | — | |
| SCHEMBL23676372 | 0.70 | EPHX1 (0.32) | — | |
| SCHEMBL23339288 | 0.70 | — | — | |
| SCHEMBL22183089 | 0.68 | — | — |
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-11075352-B2 | Metal amides for use as HIL for an organic light-emitting diode (OLED) | NOVALED GMBH (DE) | 2021-07-27 | — | — | US | disclosed |