⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27669551 | 0.93 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL11809884 | 0.85 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8549706 | 0.78 | — | — | |
| SCHEMBL7294172 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL13931313 | 0.73 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL128484 | 0.73 | — | — | |
| SCHEMBL8205738 | 0.72 | ALDH1A1 (0.55) | — | |
| SCHEMBL8464996 | 0.71 | — | — | |
| SCHEMBL1577061 | 0.71 | — | — | |
| SCHEMBL8559485 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6410497-B1 | DETERGENTS; BLEACHES; ANTISEPTICS | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-25 | — | — | US | disclosed |
| EP-0958345-A2 | ACTIVATORS FOR PER COMPOUNDS | ORACLE CORPORATION (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998033878-A2 | ACTIVATORS FOR PER COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-08-06 | — | — | WO | disclosed |
| US-3933846-A | FUNGICIDES, OVICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |