⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9788036 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL17304299 | 0.72 | HTT (0.39) | — | |
| SCHEMBL6509690 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL9788023 | 0.69 | MAPT (0.40) | — | |
| SCHEMBL9788022 | 0.68 | GALR2 (0.33) | — | |
| SCHEMBL9788058 | 0.68 | — | — | |
| SCHEMBL375913 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL9788009 | 0.68 | GPR35 (0.31) | — | |
| SCHEMBL9788026 | 0.68 | NPC1 (0.36) | — | |
| SCHEMBL9788027 | 0.68 | F2RL3 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5075326-A | Fungicides, microbiocides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-24 | — | — | US | disclosed |
| US-4962102-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-10-09 | — | — | US | disclosed |
| EP-0351662-A2 | 4-Halo-5-nitrothiazole derivatives, process for their preparation, their use as pesticides, and intermediates | BAYER AG (DE) | 1990-01-24 | — | — | EP | disclosed |