⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14840475 | 0.85 | FDPS (0.33) | — | |
| SCHEMBL9789789 | 0.78 | — | — | |
| SCHEMBL10768203 | 0.77 | — | — | |
| SCHEMBL6363827 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL14840490 | 0.74 | FDPS (0.36) | — | |
| SCHEMBL19274186 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL11045250 | 0.73 | — | — | |
| SCHEMBL7551795 | 0.73 | — | — | |
| SCHEMBL31565731 | 0.71 | — | — | |
| SCHEMBL2636200 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4560708-A | Polyisocyanurate/polyurethane elastomers based on suspensions of crystalline polyesters and polyhydroxyl compounds | BASF AKTIENGESELLSCHAFT (DE) | 1985-12-24 | — | — | US | disclosed |