⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20279592 | 0.95 | — | — | |
| SCHEMBL19758000 | 0.90 | — | — | |
| SCHEMBL16307271 | 0.86 | HSF1 (0.34) | — | |
| SCHEMBL20173359 | 0.78 | MMP2 (0.30) | — | |
| SCHEMBL20173344 | 0.78 | S1PR1 (0.36) | — | |
| SCHEMBL20173351 | 0.78 | S1PR1 (0.36) | — | |
| SCHEMBL16543647 | 0.78 | — | — | |
| SCHEMBL17973333 | 0.78 | — | — | |
| SCHEMBL20279785 | 0.76 | — | — | |
| SCHEMBL20176778 | 0.75 | — | — |
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-20180145259-A1 | ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM | FUJIFILM CORPORATION (JP) | 2018-05-24 | — | — | US | disclosed |