⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25856446 | 0.88 | CYP11B1 (0.32) | — | |
| SCHEMBL24146613 | 0.84 | IDO1 (0.33) | — | |
| SCHEMBL26312439 | 0.81 | AR (0.36) | — | |
| SCHEMBL25826337 | 0.75 | THRB (0.39) | — | |
| SCHEMBL1443680 | 0.74 | CYP11B1 (0.31) | — | |
| SCHEMBL25909013 | 0.74 | — | — | |
| SCHEMBL24146617 | 0.73 | CYP11B1 (0.37) | — | |
| SCHEMBL25786112 | 0.72 | IDO1 (0.40) | — | |
| SCHEMBL2152027 | 0.71 | CYP2A6 (0.33) | — | |
| SCHEMBL20967889 | 0.71 | CYP11B1 (0.33) | — |
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-20230240139-A1 | Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device | NOVALED GMBH (DE) | 2023-07-27 | — | — | US | disclosed |