⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL422549 | 0.97 | LMNA (0.36) | — | |
| SCHEMBL3083454 | 0.97 | LMNA (0.36) | — | |
| SCHEMBL6728416 | 0.91 | — | — | |
| SCHEMBL11348207 | 0.84 | LMNA (0.44) | — | |
| SCHEMBL1166742 | 0.81 | KMT2A (0.40) | — | |
| SCHEMBL28138992 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL27924266 | 0.81 | LMNA (0.41) | — | |
| SCHEMBL28065031 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL27712598 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL6011815 | 0.79 | KMT2A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6737544-B1 | HEATING ABOVE MELTING POINT | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-18 | — | — | US | disclosed |