⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8615992 | 0.80 | DRD1 (0.38) | — | |
| SCHEMBL8614467 | 0.75 | — | — | |
| SCHEMBL31442138 | 0.70 | HDAC9 (0.35) | — | |
| SCHEMBL9793274 | 0.68 | CA1 (0.32) | — | |
| SCHEMBL23781284 | 0.66 | PARP1 (0.34) | — | |
| SCHEMBL258234 | 0.65 | PARP1 (0.36) | — | |
| SCHEMBL31520302 | 0.65 | PARP1 (0.36) | — | |
| SCHEMBL8612680 | 0.64 | PTGS2 (0.37) | — | |
| SCHEMBL9207434 | 0.63 | KDM4E (0.39) | — | |
| SCHEMBL9207448 | 0.63 | KDM4E (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-5789623-A | Process for the preparation of hydroxybiarylphosphines and novel compounds of this group of substances | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-08-04 | — | — | US | disclosed |