⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9658057 | 0.93 | CYP1A2 (0.33) | — | |
| SCHEMBL7980378 | 0.93 | CYP1A2 (0.33) | — | |
| SCHEMBL1524605 | 0.85 | — | — | |
| SCHEMBL7994796 | 0.83 | CYP1A2 (0.31) | — | |
| Water SCHEMBL28778494 | 0.83 | — | — | |
| SCHEMBL7992355 | 0.82 | CYP1A2 (0.37) | — | |
| SCHEMBL7994811 | 0.81 | — | — | |
| SCHEMBL7994840 | 0.79 | CYP1A2 (0.54) | — | |
| Cyclooctene SCHEMBL19026366 | 0.78 | CYP1A2 (0.41) | — | |
| SCHEMBL42926 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| US-4005152-A | Cycloalkenynes and a method for the preparation thereof | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1977-01-25 | — | — | US | disclosed |