⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10592329 | 0.46 | — | — | |
| Calcium Chloride SCHEMBL29089243 | 0.46 | — | — | |
| Nitric Acid SCHEMBL28233455 | 0.44 | — | — | |
| SCHEMBL713244 | 0.43 | — | — | |
| SCHEMBL2547497 | 0.43 | MEN1 (0.75) | — | |
| SCHEMBL346902 | 0.43 | MEN1 (0.75) | — | |
| SCHEMBL338007 | 0.43 | MEN1 (0.75) | — | |
| SCHEMBL50075 | 0.43 | MEN1 (0.75) | — | |
| SCHEMBL651428 | 0.43 | MEN1 (0.75) | — | |
| SCHEMBL7250432 | 0.42 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5155823-A | — | — | None | — | — | JP | disclosed |
| JP-H05155823-A | PURIFICATION OF 2,6-DICHLORO-4-NITROANILINE | MITSUI TOATSU CHEM INC | 1993-06-22 | — | — | JP | disclosed |