⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12488394 | 0.66 | — | — | |
| SCHEMBL8351750 | 0.64 | — | — | |
| Carbon Monoxide SCHEMBL8018438 | 0.58 | — | — | |
| SCHEMBL17819378 | 0.58 | — | — | |
| SCHEMBL5183986 | 0.55 | DPP7 (0.44) | — | |
| Hydrogen Sulfide SCHEMBL28942949 | 0.48 | — | — | |
| Hydrogen Sulfide SCHEMBL3476014 | 0.38 | — | — | |
| Hydrogen Sulfide SCHEMBL1654259 | 0.38 | — | — | |
| Hydrogen Sulfide SCHEMBL10595652 | 0.38 | — | — | |
| Hydrogen Sulfide SCHEMBL11271508 | 0.38 | — | — |
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-20110251092-A1 | Use of Photopolymerization for Amplification and Detection of a Molecular Recognition Event | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE | 2011-10-13 | — | — | US | disclosed |