⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1335384 | 0.76 | — | — | |
| SCHEMBL9059 | 0.72 | — | — | |
| SCHEMBL2153342 | 0.71 | — | — | |
| SCHEMBL607288 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL8900104 | 0.67 | — | — | |
| SCHEMBL871199 | 0.67 | — | — | |
| SCHEMBL8751772 | 0.66 | — | — | |
| SCHEMBL4410111 | 0.65 | — | — | |
| SCHEMBL95053 | 0.64 | — | — | |
| SCHEMBL754334 | 0.64 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211397-B1 | CHLORINATION OF PHOSPHORANES | BASF AKTIENGESELLSCHAFT (DE) | 2001-04-03 | — | — | US | disclosed |