⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8434425 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL28721273 | 0.80 | — | — | |
| SCHEMBL24487644 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL11227304 | 0.76 | — | — | |
| SCHEMBL11849948 | 0.75 | MEN1 (0.45) | — | |
| SCHEMBL4448452 | 0.75 | MEN1 (0.45) | — | |
| SCHEMBL11068399 | 0.72 | — | — | |
| SCHEMBL6117739 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL4895084 | 0.69 | — | — | |
| SCHEMBL981922 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8353983-B2 | Shrinkage reducing agent | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2013-01-15 | — | — | US | disclosed |
| US-20120266782-A9 | Shrinking Reducing Agent | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2012-10-25 | — | — | US | disclosed |
| EP-2247552-B1 | SHRINKAGE REDUCING AGENT | CONSTR RES & TECH GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |
| US-20120125236-A1 | Shrinking Reducing Agent | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2012-05-24 | — | — | US | disclosed |