⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8650791 | 1.00 | — | — | |
| SCHEMBL3668377 | 1.00 | — | — | |
| SCHEMBL22448464 | 1.00 | — | — | |
| SCHEMBL8650793 | 1.00 | — | — | |
| SCHEMBL25986306 | 0.86 | GLB1 (0.31) | — | |
| SCHEMBL12464625 | 0.80 | — | — | |
| SCHEMBL4406364 | 0.80 | — | — | |
| SCHEMBL22559995 | 0.80 | — | — | |
| SCHEMBL100461 | 0.80 | — | — | |
| SCHEMBL2528838 | 0.80 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4263654-A1 | POLYESTER POLYOLS COMPRISING 2,5-BIS(HYDROXYMETHYL)TETRAHYDROFURAN | BASF SE (DE) | 2023-10-25 | — | — | EP | disclosed |
| CN-116635445-A | Polyester polyols comprising isosorbide, isoidide or isomannide derived units | 巴斯夫欧洲公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-116615479-A | Polyester polyols comprising 2, 5-bis (hydroxymethyl) tetrahydrofuran | 巴斯夫欧洲公司 | 2023-08-18 | — | — | CN | disclosed |
| WO-2022238315-A1 | POLYESTER POLYOLS CARRYING A TERMINAL ALCOHOL- OR ACID-DERIVED RESIDUE SUITABLE FOR USE IN SOLVENT- BASED TWO-COMPONENT COATING COMPOSITIONS | BASF SE (DE) | 2022-11-17 | — | — | WO | disclosed |
| WO-2022129136-A1 | POLYESTER POLYOLS COMPRISING 2,5-BIS(HYDROXYMETHYL)TETRAHYDROFURAN | BASF SE (DE) | 2022-06-23 | — | — | WO | disclosed |
| 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 |