⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8894827 | 0.85 | — | — | |
| SCHEMBL5844129 | 0.72 | — | — | |
| SCHEMBL8175025 | 0.72 | — | — | |
| SCHEMBL5842744 | 0.70 | RAB9A (0.33) | — | |
| SCHEMBL5844509 | 0.69 | HPGD (0.32) | — | |
| SCHEMBL8004751 | 0.68 | CYP4F2 (0.42) | — | |
| SCHEMBL5843902 | 0.67 | RORC (0.31) | — | |
| SCHEMBL7754467 | 0.66 | — | — | |
| SCHEMBL11210656 | 0.66 | TRPV4 (0.39) | — | |
| SCHEMBL5844125 | 0.64 | GPR35 (0.38) | — |
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-2001009087-A1 | SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-02-08 | — | — | WO | disclosed |
| EP-0832072-A1 | PHENYLPYRIDAZINONES | BAYER AG (DE) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039392-A1 | PHENYLPYRIDAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-12 | — | — | WO | disclosed |