⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21374484 | 0.59 | — | — | |
| SCHEMBL21066929 | 0.59 | — | — | |
| SCHEMBL28253228 | 0.58 | CCR2 (0.33) | — | |
| SCHEMBL11793462 | 0.58 | — | — | |
| SCHEMBL11073504 | 0.58 | — | — | |
| SCHEMBL20809962 | 0.58 | — | — | |
| SCHEMBL3626679 | 0.58 | — | — | |
| SCHEMBL12394118 | 0.57 | — | — | |
| SCHEMBL31588943 | 0.57 | CYP3A4 (0.33) | — | |
| SCHEMBL10895935 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7770534-B2 | Changed condition indicator | THERMOPROX | 2010-08-10 | — | — | US | disclosed |
| US-20070151502-A1 | Changed condition indicator | THERMOPROX | 2007-07-05 | — | — | US | disclosed |