⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9468676 | 0.67 | ALDH3A1 (0.31) | — | |
| SCHEMBL31470628 | 0.63 | ALOX15 (0.43) | — | |
| SCHEMBL7429292 | 0.61 | — | — | |
| SCHEMBL9192204 | 0.60 | DYRK1A (0.34) | — | |
| SCHEMBL11588685 | 0.60 | ALDH3A1 (0.34) | — | |
| SCHEMBL1228399 | 0.60 | — | — | |
| SCHEMBL11590388 | 0.59 | NR1I2 (0.46) | — | |
| SCHEMBL12890588 | 0.59 | HRH4 (0.30) | — | |
| SCHEMBL11751367 | 0.59 | ALDH3A1 (0.31) | — | |
| SCHEMBL9320772 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0455080-B1 | Biocide N-thiocyanatomethoxy-azaheterocycles | BASF AG (DE) | 1995-12-20 | — | — | EP | claimed |
| EP-0455080-A1 | Biocide N-thiocyanatomethoxy-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-11-06 | — | — | EP | claimed |
| EP-0455080-B1 | Biocide N-thiocyanatomethoxy-azaheterocycles | BASF AG (DE) | 1995-12-20 | — | — | EP | disclosed |
| US-5216010-A | Bactericides; fungicides; algicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-01 | — | — | US | disclosed |
| EP-0455080-A1 | Biocide N-thiocyanatomethoxy-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-11-06 | — | — | EP | disclosed |