⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL9170311 | 0.95 | — | — | |
| Chloromethane SCHEMBL9168626 | 0.95 | — | — | |
| Bromide SCHEMBL9169681 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL9169182 | 0.92 | — | — | |
| Iodide SCHEMBL9169104 | 0.92 | — | — | |
| SCHEMBL3993707 | 0.92 | — | — | |
| SCHEMBL21044892 | 0.90 | — | — | |
| SCHEMBL8671020 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9169185 | 0.86 | — | — | |
| Bromide SCHEMBL9169684 | 0.86 | — | — |
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-5420320-A | Method for preparing cyclopentadienyl-type ligands and metallocene compounds | PHILLIPS PETROLEUM COMPANY (US) | 1995-05-30 | — | — | US | disclosed |