⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6278613 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL15903540 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL15903538 | 0.72 | PTK2 (0.33) | — | |
| SCHEMBL19232290 | 0.66 | — | — | |
| SCHEMBL24924050 | 0.63 | — | — | |
| SCHEMBL11831869 | 0.63 | — | — | |
| SCHEMBL4105105 | 0.63 | — | — | |
| SCHEMBL3725336 | 0.63 | — | — | |
| SCHEMBL3725331 | 0.63 | — | — | |
| SCHEMBL31233610 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483426-A1 | Thiol heterocyclic deodorant composition and method of deodorization | THE PROCTER & GAMBLE COMPANY (US) | 1992-05-06 | — | — | EP | claimed |
| US-20170237010-A1 | Azinothiadiazole Compounds and Related Semiconductor Devices | USINVEST LLC | 2017-08-17 | — | — | US | disclosed |
| US-20170237010-A1 | Azinothiadiazole Compounds and Related Semiconductor Devices | USINVEST LLC | 2017-08-17 | — | — | US | disclosed |
| EP-0483426-A1 | Thiol heterocyclic deodorant composition and method of deodorization | THE PROCTER & GAMBLE COMPANY (US) | 1992-05-06 | — | — | EP | disclosed |