⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8648594 | 1.00 | — | — | |
| SCHEMBL20563367 | 1.00 | — | — | |
| SCHEMBL9236888 | 0.87 | CA1 (0.41) | — | |
| SCHEMBL9236883 | 0.87 | CA1 (0.41) | — | |
| SCHEMBL4148694 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL28364250 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL124660 | 0.76 | — | — | |
| SCHEMBL418019 | 0.76 | — | — | |
| SCHEMBL124659 | 0.76 | — | — | |
| SCHEMBL15355935 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0691964-B1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LTD (GB) | 1998-09-02 | — | — | EP | claimed |
| US-5684166-A | MULTISTAGE REACTION OF TRANS-HEXEN-3-ENE-1,6-DIOL TO AN IODO ETHERIFICATION REACTION TO GIVE 3-IODOTETRAHYDROFURAN, PROTECTION OF HYDROXYL AND DISPLACEMENT OF IODINE FOR PRODUCT | BIOCURE LIMITED (GB) | 1997-11-04 | — | — | US | claimed |
| EP-0691964-A1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LIMITED (GB) | 1996-01-17 | — | — | EP | claimed |
| WO-1994022849-A1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LIMITED (GB) | 1994-10-13 | — | — | WO | claimed |
| EP-0691964-B1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LTD (GB) | 1998-09-02 | — | — | EP | disclosed |
| US-5684166-A | MULTISTAGE REACTION OF TRANS-HEXEN-3-ENE-1,6-DIOL TO AN IODO ETHERIFICATION REACTION TO GIVE 3-IODOTETRAHYDROFURAN, PROTECTION OF HYDROXYL AND DISPLACEMENT OF IODINE FOR PRODUCT | BIOCURE LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0691964-A1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LIMITED (GB) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994022849-A1 | (3-KETOTETRAHYDROFURAN-2-YL)ETHANAL DERIVATIVES AND A METHOD FOR THEIR PREPARATION | BIOCURE LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |