⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125984 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL27487092 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL5571946 | 0.79 | — | — | |
| SCHEMBL28160845 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL16098749 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL3255350 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL422311 | 0.77 | — | — | |
| SCHEMBL5037144 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL18542654 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL28232799 | 0.76 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014147192-A1 | TEMPERATURE-RESPONSIVE CATALYSTS | EVONIK INDUSTRIES AG (DE) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014147188-A1 | TEMPERATURE-RESPONSIVE CATALYSTS | EVONIK INDUSTRIES AG (DE) | 2014-09-25 | — | — | WO | disclosed |