⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135426 | 0.80 | — | — | |
| SCHEMBL18663509 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL23190258 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL24608822 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL111246 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL17212823 | 0.70 | — | — | |
| SCHEMBL8461388 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL28996872 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL18866703 | 0.69 | — | — | |
| SCHEMBL31707461 | 0.69 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3993854-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-23 | — | — | US | claimed |
| US-4044195-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORS2,4-PENTADIEN-1-OL | PHILLIPS PETROLEUM COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-3993854-A | ALKADIENOL ADDUCTS AS POLYMERIZATION INITIATORSHYDROXY-TERMINATED POLYMERS | PHILLIPS PETROLEUM COMPANY (US) | 1976-11-23 | — | — | US | disclosed |