⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL621682 | 0.80 | — | — | |
| SCHEMBL11720449 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL9628957 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL11891474 | 0.76 | — | — | |
| SCHEMBL19069245 | 0.76 | — | — | |
| SCHEMBL9630938 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL10868575 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL9628964 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL379143 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL11204086 | 0.72 | — | — |
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 6 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-5175378-A | Synthesis of optically pure forms of ipsdienol | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5175371-A | Synthesis of optically pure forms of ipsenol | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5103063-A | Intermediates useful for the chiral isoprenylation of aldehydes | ALDRICH CHEMICAL COMPANY, INC. (US) | 1992-04-07 | — | — | US | disclosed |
| 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 |