⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL10534801 | 0.79 | — | — | |
| SCHEMBL45153 | 0.77 | — | — | |
| Isobutane SCHEMBL11439727 | 0.76 | — | — | |
| SCHEMBL11509347 | 0.76 | — | — | |
| SCHEMBL28289597 | 0.74 | — | — | |
| Propane SCHEMBL10976581 | 0.73 | ALPG (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL27794631 | 0.73 | — | — | |
| Propane SCHEMBL10717936 | 0.73 | ALPG (0.37) | — | |
| Propane SCHEMBL11872178 | 0.73 | ALPG (0.37) | — | |
| Dimethyl Sulfoxide SCHEMBL1197318 | 0.70 | — | — |
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-4174445-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-13 | — | — | US | disclosed |
| US-4058604-A | OR ACARICIDALLY ACTIVE SUBSTANCES | CIBA-GEIGY AG (CH) | 1977-11-15 | — | — | US | disclosed |
| US-3980799-A | OR ACARICIDALLY ACTIVE SUBSTANCES | CIBA-GEIGY AG (CH) | 1976-09-14 | — | — | US | disclosed |
| US-3940412-A | 2,4,5-Trichloro- and 2,4,5-tribromoimidazole derivatives and pesticidal compositions containing them | CIBA-GEIGY AG (CH) | 1976-02-24 | — | — | US | disclosed |