⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18638257 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL25504372 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL20903959 | 0.73 | OPRM1 (0.38) | — | |
| SCHEMBL30562918 | 0.73 | TRPM8 (0.33) | — | |
| SCHEMBL6113280 | 0.72 | — | — | |
| SCHEMBL13620939 | 0.71 | — | — | |
| SCHEMBL25938423 | 0.71 | KMT2A (0.34) | — | |
| SCHEMBL28017760 | 0.70 | TRPM8 (0.32) | — | |
| SCHEMBL3094472 | 0.70 | — | — | |
| SCHEMBL12587990 | 0.70 | ALDH1A1 (0.30) | — |
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-20170320052-A1 | COMPOSITIONS AND METHODS FOR REDUCING ATMOSPHERIC OZONE LEVELS | AIR CROSS INC (US) | 2017-11-09 | — | — | US | disclosed |