⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7056237 | 0.83 | AHR (0.31) | — | |
| SCHEMBL7055912 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL7023109 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL6555259 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL8596874 | 0.73 | CFD (0.38) | — | |
| SCHEMBL2467663 | 0.73 | — | — | |
| SCHEMBL3644053 | 0.73 | TYMS (0.35) | — | |
| SCHEMBL11127773 | 0.73 | ADORA3 (0.40) | — | |
| SCHEMBL8397431 | 0.72 | — | — | |
| SCHEMBL1039198 | 0.72 | MAPK1 (0.36) | — |
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-3548534-B1 | METHOD FOR THE PREPARATION OF TDI-BASED POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES | COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) | 2020-12-02 | — | — | EP | disclosed |
| EP-3330308-A1 | METHOD FOR THE PREPARATION OF TDI-BASED POLYURETHANE FOAMS CONTAINING ORGANIC ACID ANHYDRIDES AND/OR ORGANIC ACID CHLORIDES | Covestro Deutschland AG (DE) | 2018-06-06 | — | — | EP | disclosed |
| EP-1124893-B1 | POLYISOCYANATE POLYADDITION PRODUCTS | BASF AG (DE) | 2004-12-22 | — | — | EP | disclosed |
| EP-1117718-B1 | PROCESS FOR THE PREPARATION OF FOAMED POLYISOCYANATE-POLYADDITION PRODUCTS OR POLYURETHANE ELASTOMERS USING MIXTURES CONTAINING ISOCYANATES AS WELL AS ORGANIC AND/OR INORGANIC ACID ANHYDRIDES | BASF AG (DE) | 2003-10-01 | — | — | EP | disclosed |
| EP-1124893-A1 | POLYISOCYANATE POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-22 | — | — | EP | disclosed |
| WO-2001000721-A1 | POLYISOCYANATE POLYADDITION PRODUCTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |