⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8644327 | 1.00 | — | — | |
| SCHEMBL31296054 | 0.87 | — | — | |
| SCHEMBL2565575 | 0.83 | — | — | |
| SCHEMBL2568120 | 0.83 | — | — | |
| SCHEMBL20494560 | 0.83 | — | — | |
| SCHEMBL2566450 | 0.79 | — | — | |
| SCHEMBL28634278 | 0.75 | DNM1 (0.50) | — | |
| SCHEMBL5476016 | 0.75 | — | — | |
| SCHEMBL28732087 | 0.75 | DNM1 (0.50) | — | |
| SCHEMBL29768538 | 0.72 | — | — |
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-20110287549-A1 | TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS | FRESHPOINT HOLDINGS SA (CH) | 2011-11-24 | — | — | US | disclosed |