⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121301 | 0.98 | — | — | |
| SCHEMBL27714126 | 0.95 | — | — | |
| Bromide SCHEMBL31321998 | 0.95 | — | — | |
| SCHEMBL28284197 | 0.95 | — | — | |
| SCHEMBL5484928 | 0.95 | — | — | |
| SCHEMBL15012698 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27970899 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1128589 | 0.95 | — | — | |
| Water SCHEMBL28313135 | 0.95 | — | — | |
| Hydrazine SCHEMBL17745707 | 0.93 | ALDH1A1 (0.59) | — |
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-106146533-A | Sulfur heterocyclic ring carboxylic acid derivative, its preparation method and application | 华润赛科药业有限责任公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-101249458-B | Halogen compound carbonylation reaction catalyst and uses thereof | YAN AN CHANGTAI PHARMACEUTICAL CO LTD | 2011-05-25 | — | — | CN | disclosed |
| CN-101249458-A | Halogen compound carbonylation reaction catalyst and uses thereof | YAN AN CHANGTAI PHARMACEUTICAL (CN) | 2008-08-27 | — | — | CN | disclosed |