⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15274310 | 0.86 | NOS3 (0.32) | — | |
| SCHEMBL12711268 | 0.86 | NOS3 (0.35) | — | |
| SCHEMBL2419709 | 0.84 | CES1 (0.36) | — | |
| SCHEMBL16256694 | 0.82 | CES1 (0.34) | — | |
| SCHEMBL12279756 | 0.78 | CES1 (0.34) | — | |
| SCHEMBL10356895 | 0.77 | NOS3 (0.33) | — | |
| SCHEMBL18407871 | 0.76 | NOS3 (0.36) | — | |
| SCHEMBL16546082 | 0.75 | NPC1 (0.32) | — | |
| SCHEMBL19570518 | 0.74 | NOS3 (0.32) | — | |
| SCHEMBL17339839 | 0.74 | NOTUM (0.36) | — |
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-20170237011-A1 | PICENE DERIVATIVE, PHOTOELECTRIC MATERIAL, AND PHOTOELECTRIC DEVICE | ADEKA CORPORATION (JP) | 2017-08-17 | — | — | US | disclosed |