⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11211916 | 0.98 | INMT (0.42) | — | |
| SCHEMBL4615672 | 0.75 | — | — | |
| SCHEMBL4614229 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL4614226 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL945777 | 0.67 | KMT2A (0.38) | — | |
| SCHEMBL11922538 | 0.67 | INMT (0.45) | — | |
| SCHEMBL9701843 | 0.67 | — | — | |
| SCHEMBL5284491 | 0.65 | NPC1 (0.32) | — | |
| SCHEMBL5298460 | 0.65 | NPC1 (0.32) | — | |
| Bromide SCHEMBL3383425 | 0.63 | MAPT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5095025-A | Fungicide | HODOGAYA CHEMICAL CO., LTD. (JP) | 1992-03-10 | — | — | US | disclosed |
| EP-0407621-A1 | BENZOTHIAZOLE DERIVATIVES AS FUNGICIDE | HODOGAYA CHEMICAL COMPANY, LIMITED (JP) | 1991-01-16 | — | — | EP | disclosed |
| US-4103017-A | INSECTICIDES, MITICIDES | SHELL OIL COMPANY (US) | 1978-07-25 | — | — | US | disclosed |