⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL656963 | 0.89 | CHRNA7 (0.33) | — | |
| SCHEMBL18960 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL3390479 | 0.86 | CHRM2 (0.30) | — | |
| Iodomethane SCHEMBL11255462 | 0.86 | — | — | |
| Iodide SCHEMBL3277614 | 0.85 | — | — | |
| SCHEMBL9232705 | 0.85 | — | — | |
| Water SCHEMBL5409123 | 0.85 | — | — | |
| Bromide SCHEMBL8149787 | 0.85 | CHRNA7 (0.32) | — | |
| Charcoal, Activated SCHEMBL230089 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL353996 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103833546-B | The method of asymmetric synthesis of optical purity danshensu and its derivatives | XI'AN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2015-12-02 | — | — | CN | disclosed |
| CN-103833546-A | Asymmetric synthesis method of optically pure tanshinol and derivative of tanshinol | UNIV XI AN SCI & TECHNOLOGY | 2014-06-04 | — | — | CN | disclosed |
| US-4338118-A | OF COTTON WITH BICYCLIC QUATERNARY AMMONIUM SALTS | ELI LILLY AND COMPANY (US) | 1982-07-06 | — | — | US | disclosed |