⚠ 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 | |
|---|---|---|---|---|
| Nitrosobenzene SCHEMBL103117 | 0.94 | — | — | |
| Nitrosobenzene SCHEMBL28014686 | 0.94 | ALDH1A1 (0.59) | — | |
| Nitrosobenzene SCHEMBL3176061 | 0.94 | — | — | |
| Nitrosobenzene SCHEMBL26970890 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL27642000 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL7961436 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL30901881 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL28230134 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL27874353 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL27565281 | 0.88 | ALDH1A1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001062748-A1 | METHOD FOR THE PRODUCTION OF 2-MERCAPTOBENZOTHIAZOLE | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2001-08-30 | — | — | WO | disclosed |
| US-6222041-B1 | Method for the production of 2-mercaptobenzothiazole | UNIROYAL CHEMICAL COMPANY, INC. | 2001-04-24 | — | — | US | disclosed |