⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8677223 | 0.98 | — | — | |
| SCHEMBL35780 | 0.98 | — | — | |
| SCHEMBL7703603 | 0.96 | LMNA (0.31) | — | |
| SCHEMBL2148105 | 0.94 | LMNA (0.30) | — | |
| SCHEMBL7555491 | 0.94 | LMNA (0.30) | — | |
| SCHEMBL2012541 | 0.94 | LMNA (0.30) | — | |
| SCHEMBL28747658 | 0.92 | — | — | |
| SCHEMBL28876359 | 0.89 | — | — | |
| SCHEMBL28184083 | 0.88 | — | — | |
| SCHEMBL4457453 | 0.87 | LMNA (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5556894-A | Flame resistant rigid polyurethane foams containing phosphorus and a halogen | BASF CORPORATION (US) | 1996-09-17 | — | — | US | disclosed |
| US-4698410-A | HAVING A POLYUREA COMPONENT, SAFETY SHOE SOLES | BASF AKTIENGESELLSCHAFT (DE) | 1987-10-06 | — | — | US | disclosed |