⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42225 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL11387244 | 0.81 | — | — | |
| SCHEMBL8922619 | 0.74 | HMGCR (0.43) | — | |
| SCHEMBL11652886 | 0.73 | FDPS (0.31) | — | |
| SCHEMBL811747 | 0.73 | — | — | |
| SCHEMBL809181 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL4426458 | 0.70 | FDPS (0.32) | — | |
| SCHEMBL7241793 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL12039725 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL27244473 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024252042-A1 | METHOD FOR INHIBITING MOLECULAR DIHYDROGEN DISSOCIATION ON NOBLE METALS USING 1,4-ENEDIOLS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2024-12-12 | — | — | WO | claimed |
| WO-2023067228-A1 | SYNTHESIS OF A SYN-CIS AND TRANS 2,4,7,9-TETRAMETHYLDECYNE-4,7-DIOL MIXTURE BY CATALYTIC PARTIAL HYDROGENATION WITH MOLECULAR HYDROGEN | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2023-04-27 | — | — | WO | claimed |
| WO-2024252042-A1 | METHOD FOR INHIBITING MOLECULAR DIHYDROGEN DISSOCIATION ON NOBLE METALS USING 1,4-ENEDIOLS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2024-12-12 | — | — | WO | disclosed |
| WO-2023067228-A1 | SYNTHESIS OF A SYN-CIS AND TRANS 2,4,7,9-TETRAMETHYLDECYNE-4,7-DIOL MIXTURE BY CATALYTIC PARTIAL HYDROGENATION WITH MOLECULAR HYDROGEN | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2023-04-27 | — | — | WO | disclosed |
| WO-2023067228-A1 | SYNTHESIS OF A SYN-CIS AND TRANS 2,4,7,9-TETRAMETHYLDECYNE-4,7-DIOL MIXTURE BY CATALYTIC PARTIAL HYDROGENATION WITH MOLECULAR HYDROGEN | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2023-04-27 | — | — | WO | disclosed |
| WO-2023067228-A1 | SYNTHESIS OF A SYN-CIS AND TRANS 2,4,7,9-TETRAMETHYLDECYNE-4,7-DIOL MIXTURE BY CATALYTIC PARTIAL HYDROGENATION WITH MOLECULAR HYDROGEN | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2023-04-27 | — | — | WO | disclosed |
| EP-0399377-B1 | Cold rolling oil for steel sheet | NIHON PARKERIZING (JP) | 1993-11-10 | — | — | EP | disclosed |
| EP-0399377-A1 | Cold rolling oil for steel sheet | NIHON PARKERIZING CO., LTD. (JP) | 1990-11-28 | — | — | EP | disclosed |