⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL29098230 | 0.89 | CA1 (0.56) | — | |
| SCHEMBL4481606 | 0.89 | CA1 (0.55) | — | |
| SCHEMBL4481609 | 0.89 | CA1 (0.55) | — | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.83 | CA1 (1.00) | — | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.83 | CA1 (1.00) | — | |
| 1,4-Dimethoxybenzene SCHEMBL29937047 | 0.79 | CA1 (0.92) | — | |
| 1,4-Dimethoxybenzene SCHEMBL30704776 | 0.79 | CA1 (0.92) | — | |
| 1,4-Dimethoxybenzene SCHEMBL28833370 | 0.76 | CA1 (0.85) | — | |
| 1,4-Dimethoxybenzene SCHEMBL11373286 | 0.76 | CA1 (0.85) | — | |
| SCHEMBL7534896 | 0.73 | CA1 (0.79) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110256306-A | Diaryl iodonium class compound of ortho position sulfonamide substitutions and the preparation method and application thereof | 华东理工大学 | 2019-09-20 | — | — | CN | claimed |
| WO-2008126104-A2 | NOVEL PROCESS FOR PREPARATION OF ADAPALENE | INDOCO REMEDIES LIMITED (IN) | 2008-10-23 | — | — | WO | disclosed |