⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7747559 | 0.79 | — | — | |
| SCHEMBL1149564 | 0.79 | — | — | |
| Fluoride SCHEMBL20262209 | 0.79 | — | — | |
| Water SCHEMBL15573047 | 0.72 | — | — | |
| Fluoride SCHEMBL4950335 | 0.72 | — | — | |
| Fluoride SCHEMBL29466888 | 0.72 | — | — | |
| SCHEMBL12054244 | 0.71 | — | — | |
| SCHEMBL1930146 | 0.71 | — | — | |
| SCHEMBL1276 | 0.71 | — | — | |
| SCHEMBL28197964 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012114347-A1 | SYNTHESIS OF CHIRAL SUBSTITUTED BENZENES AND RELATED AROMATIC COMPOUNDS CONTAINING 1,2 DIOLS PROTECTED AS DIACETAL GROUPS | AVRA LABORATORIES PVT. LTD. (IN) | 2012-08-30 | — | — | WO | claimed |
| WO-2012114347-A1 | SYNTHESIS OF CHIRAL SUBSTITUTED BENZENES AND RELATED AROMATIC COMPOUNDS CONTAINING 1,2 DIOLS PROTECTED AS DIACETAL GROUPS | AVRA LABORATORIES PVT. LTD. (IN) | 2012-08-30 | — | — | WO | disclosed |
| WO-2012114347-A1 | SYNTHESIS OF CHIRAL SUBSTITUTED BENZENES AND RELATED AROMATIC COMPOUNDS CONTAINING 1,2 DIOLS PROTECTED AS DIACETAL GROUPS | AVRA LABORATORIES PVT. LTD. (IN) | 2012-08-30 | — | — | WO | disclosed |