⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3034781 | 0.74 | — | — | |
| SCHEMBL5807994 | 0.74 | — | — | |
| SCHEMBL11786387 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL12824230 | 0.64 | — | — | |
| SCHEMBL14462983 | 0.64 | RAB9A (0.32) | — | |
| SCHEMBL1629403 | 0.64 | — | — | |
| SCHEMBL4091562 | 0.64 | — | — | |
| SCHEMBL23394985 | 0.64 | PKM (0.34) | — | |
| SCHEMBL27170476 | 0.62 | TDP1 (0.51) | — | |
| SCHEMBL12824229 | 0.62 | TDP1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0200297-A1 | Animal repellent and method of protecting plants against animal browsing | NORANDA INC. (CA) | 1986-11-05 | — | — | EP | disclosed |
| US-4444967-A | FOR ALPHA-OLEFIN POLYMERIZATION | STAUFFER CHEMICAL COMPANY (US) | 1984-04-24 | — | — | US | disclosed |
| US-4142991-A | TITANIUM TRICHLORIDE | STAUFFER CHEMICAL COMPANY (US) | 1979-03-06 | — | — | US | disclosed |