⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20771269 | 0.82 | TDP1 (0.36) | — | |
| SCHEMBL7231561 | 0.82 | TDP1 (0.36) | — | |
| SCHEMBL2048002 | 0.81 | TRPA1 (0.42) | — | |
| SCHEMBL2048005 | 0.81 | TRPA1 (0.42) | — | |
| SCHEMBL9899327 | 0.80 | TRPA1 (0.37) | — | |
| SCHEMBL1318083 | 0.80 | — | — | |
| SCHEMBL9899329 | 0.80 | TRPA1 (0.37) | — | |
| SCHEMBL8408404 | 0.78 | — | — | |
| SCHEMBL2435115 | 0.78 | — | — | |
| SCHEMBL11120729 | 0.78 | KMT2A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0052819-B1 | PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS | UBE INDUSTRIES, LTD. (JP) | 1984-02-29 | — | — | EP | claimed |
| EP-0929524-A1 | PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998012179-A1 | PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 1998-03-26 | — | — | WO | disclosed |