⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28114167 | 0.80 | LMNA (0.36) | — | |
| Benzene SCHEMBL29008242 | 0.76 | TP53 (0.33) | — | |
| Benzene SCHEMBL10536361 | 0.76 | TP53 (0.33) | — | |
| Benzene SCHEMBL11124811 | 0.76 | TP53 (0.33) | — | |
| Benzene SCHEMBL1419416 | 0.76 | — | — | |
| SCHEMBL6231 | 0.76 | — | — | |
| Benzene SCHEMBL330964 | 0.76 | TP53 (0.33) | — | |
| Benzene SCHEMBL8233367 | 0.76 | — | — | |
| SCHEMBL8871827 | 0.76 | — | — | |
| Benzene SCHEMBL187312 | 0.76 | TP53 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113336227-B | Benzene-free carbon disulfide and preparation method thereof | 成都市科隆化学品有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-113336227-A | Benzene-free carbon disulfide and preparation method thereof | 成都市科隆化学品有限公司 | 2021-09-03 | — | — | CN | claimed |
| CN-203643411-U | Pretreatment device for extracting benzene series in air by using carbon disulfide | GUANGZHOU JINGCHENG TEST TECHNOLOGY CO LTD | 2014-06-11 | — | — | CN | claimed |
| CN-108144626-B | Layered composite hydrodesulfurization catalyst and preparation method thereof | 南京工业大学 | 2021-02-19 | — | — | CN | disclosed |
| CN-209020111-U | A kind of VOCs treatment device using concave convex rod absorption and superparamagnetic field magnetic solution | 张�诚 | 2019-06-25 | — | — | CN | disclosed |
| CN-108889066-A | A kind of VOCs treatment device using concave convex rod absorption and superparamagnetic field magnetic solution | 张�诚 | 2018-11-27 | — | — | CN | disclosed |
| CN-203643411-U | Pretreatment device for extracting benzene series in air by using carbon disulfide | GUANGZHOU JINGCHENG TEST TECHNOLOGY CO LTD | 2014-06-11 | — | — | CN | disclosed |
| US-20090136649-A1 | PROTEIN HAVING ICE NUCLEATION ACTIVITY | NIPPON SUISAN KAISHA LTD. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-20090054626-A1 | CRUSTACEAN-DERIVED PROTEIN HAVING ANTIFREEZE ACTIVITY | NIPPON SUISAN KAISHA LTD. (JP) | 2009-02-26 | — | — | US | disclosed |