⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297008 | 0.89 | — | — | |
| SCHEMBL297009 | 0.89 | — | — | |
| SCHEMBL7789666 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL7099018 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL7120198 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL7789670 | 0.88 | TSHR (0.30) | — | |
| SCHEMBL7787421 | 0.86 | SMPD1 (0.31) | — | |
| SCHEMBL7789678 | 0.86 | SMPD1 (0.31) | — | |
| SCHEMBL7095118 | 0.86 | SMPD1 (0.31) | — | |
| SCHEMBL7789682 | 0.86 | SMPD1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192198-B1 | PROCESS FOR MAKING GRAFT POLYOLS USING T-AMYL PEROXY FREE RADICAL INITIATOR | BASF CORP (US) | 2003-05-28 | — | — | EP | disclosed |
| US-6201035-B1 | POLYURETHANE FOAM AND POLYETHERURETHANES | BASF CORPORATION | 2001-03-13 | — | — | US | disclosed |