⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL524858 | 0.89 | GPR3 (0.33) | — | |
| Fluoride Ion SCHEMBL1130995 | 0.89 | GPR3 (0.33) | — | |
| Methane SCHEMBL5348855 | 0.88 | GPR3 (0.32) | — | |
| Cyclopentane SCHEMBL6557619 | 0.86 | BCHE (0.33) | — | |
| Hydrochloric Acid SCHEMBL7180983 | 0.85 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7621841 | 0.85 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7168371 | 0.84 | CHRNB2 (0.30) | — | |
| Propene SCHEMBL27558553 | 0.82 | — | — | |
| Syringol SCHEMBL7929842 | 0.81 | POLL (0.33) | — | |
| Hydrochloric Acid SCHEMBL2484390 | 0.78 | CHRM2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125846-A2 | PROCESS FOR PREPARING DIALKYL OXIDE METALLOCENES OR DIARYL OXIDE METALLOCENES | Chemtura Organometallics GmbH (DE) | 2009-12-02 | — | — | EP | claimed |
| WO-2008104382-A2 | PROCESS FOR PREPARING DIALKYL OXIDE METALLOCENES OR DIARYL OXIDE METALLOCENES | CHEMTURA ORGANOMETALLICS GMBH (DE) | 2008-09-04 | — | — | WO | claimed |