⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7196734 | 0.85 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL5027721 | 0.82 | — | — | |
| Phosphine SCHEMBL7200715 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL27301818 | 0.79 | CA1 (0.41) | — | |
| Acetaldehyde SCHEMBL6632642 | 0.78 | TSHR (0.31) | — | |
| Acetonitrile SCHEMBL8083265 | 0.78 | ALDH1A1 (0.31) | — | |
| Acetone SCHEMBL20186006 | 0.78 | CA1 (0.36) | — | |
| Acetic Acid SCHEMBL17964267 | 0.76 | PTGS1 (0.38) | — | |
| SCHEMBL6139750 | 0.75 | CA1 (0.38) | — | |
| SCHEMBL1854137 | 0.74 | PGK1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427525-A2 | CROSSLINKED THREE-DIMENSIONAL POLYMER NETWORK, METHOD FOR PREPARING SAME, SUPPORT MATERIAL COMPRISING SAME AND USES THEREOF | Chirosep (FR) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003026793-A2 | CROSSLINKED THREE-DIMENSIONAL POLYMER NETWORK, METHOD FOR PREPARING SAME, SUPPORT MATERIAL COMPRISING SAME AND USES THEREOF | EKA CHEMICALS AB (SE) | 2003-04-03 | — | — | WO | disclosed |
| EP-0738284-A1 | POLYSACCHARIDE DERIVATIVES AND THEIR USE FOR PREPARING STATIONARY CHIRAL PHASES SUITABLE FOR SEPARATING ISOMERS | CONSERVATOIRE NATIONAL DES ARTS ET METIERS (FR) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018833-A1 | POLYSACCHARIDE DERIVATIVES AND THEIR USE FOR PREPARING STATIONARY CHIRAL PHASES SUITABLE FOR SEPARATING ISOMERS | CONSERVATOIRE NATIONAL DES ARTS ET METIERS (FR) | 1995-07-13 | — | — | WO | disclosed |