⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL648604 | 1.00 | — | — | |
| Ethylene SCHEMBL1146546 | 1.00 | — | — | |
| Cyclohexane SCHEMBL8216498 | 1.00 | — | — | |
| Cyclopropane SCHEMBL8385778 | 1.00 | — | — | |
| Cyclohexane SCHEMBL5485545 | 0.91 | — | — | |
| Cyclopentane SCHEMBL1846422 | 0.91 | — | — | |
| Cyclohexane SCHEMBL333363 | 0.91 | — | — | |
| Ethylene SCHEMBL20695617 | 0.91 | — | — | |
| Cyclopentane SCHEMBL10532996 | 0.91 | — | — | |
| Ethylene SCHEMBL9131469 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200254361-A1 | HOST-GUEST EXTRACTION METHOD OF HEAVY METALS | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2020-08-13 | — | — | US | claimed |