⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21229944 | 0.80 | — | — | |
| SCHEMBL9595735 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL11705054 | 0.74 | — | — | |
| SCHEMBL10708789 | 0.74 | — | — | |
| SCHEMBL20259732 | 0.74 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL6264325 | 0.72 | — | — | |
| SCHEMBL21538113 | 0.72 | — | — | |
| SCHEMBL23225479 | 0.72 | CYP2D6 (0.33) | — | |
| SCHEMBL2033512 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL16043283 | 0.72 | MAPK1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542608-A1 | METHOD FOR PRODUCING POLYURETHANES | BASF SE (DE) | 2013-01-09 | — | — | EP | disclosed |
| EP-2542607-A1 | METHOD FOR PRODUCING POLYURETHANE HARD FOAM MATERIALS | BASF SE (DE) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011107374-A1 | METHOD FOR PRODUCING POLYURETHANE HARD FOAM MATERIALS | BASF SE (DE) | 2011-09-09 | — | — | WO | disclosed |
| WO-2011107366-A1 | METHOD FOR PRODUCING POLYURETHANES | BASF SE (DE) | 2011-09-09 | — | — | WO | disclosed |
| US-20110218262-A1 | PREPARING RIGID POLYURETHANE FOAMS | BASF SE (DE) | 2011-09-08 | — | — | US | disclosed |
| US-20110218259-A1 | PREPARING POLYURETHANES | BASF SE (DE) | 2011-09-08 | — | — | US | disclosed |