⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812615 | 1.00 | — | — | |
| SCHEMBL10607100 | 1.00 | — | — | |
| Bromide SCHEMBL6904659 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL10456231 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL60123 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL10456417 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2877935 | 0.98 | — | — | |
| Fluoride SCHEMBL7595461 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL5599450 | 0.91 | — | — | |
| Alcohol SCHEMBL7540710 | 0.89 | — | — |
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-6002037-A | INTERMEDIATES OF CHIRAL ORGANIC COMPOUNDS, E.G., ISOALKYL ALCOHOLS, IN HIGHLY ENANTIOMERIC EXCESS FOR PREPARING VITAMINS, DRUGS AND BIOMOLECULES; METALLOCENE CATALYSTS | PURDUE RESEARCH FOUNDATION (US) | 1999-12-14 | — | — | US | disclosed |