⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17493408 | 0.81 | — | — | |
| SCHEMBL17538736 | 0.79 | — | — | |
| SCHEMBL17538737 | 0.74 | — | — | |
| SCHEMBL17538816 | 0.72 | — | — | |
| SCHEMBL18905975 | 0.70 | — | — | |
| SCHEMBL17538773 | 0.69 | — | — | |
| SCHEMBL17825562 | 0.67 | — | — | |
| SCHEMBL17538814 | 0.66 | — | — | |
| SCHEMBL660059 | 0.64 | NPC1 (0.31) | — | |
| SCHEMBL17825560 | 0.63 | — | — |
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-20170155053-A1 | Molecular and Polymeric Semiconductors and Related Devices | USINVEST LLC | 2017-06-01 | — | — | US | disclosed |