⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7871717 | 1.00 | — | — | |
| SCHEMBL729476 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL16781694 | 0.97 | ENPEP (0.60) | — | |
| Hydrochloric Acid SCHEMBL16781696 | 0.97 | ENPEP (0.60) | — | |
| Hydrochloric Acid SCHEMBL1586404 | 0.97 | ENPEP (0.60) | — | |
| Hydrochloric Acid SCHEMBL16781697 | 0.97 | ENPEP (0.60) | — | |
| Hydrochloric Acid SCHEMBL8727536 | 0.95 | ENPEP (0.58) | — | |
| SCHEMBL289090 | 0.86 | ENPEP (0.76) | — | |
| SCHEMBL7871763 | 0.85 | ENPEP (0.65) | — | |
| SCHEMBL7873463 | 0.85 | ENPEP (0.65) | — |
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-107652219-A | Four maleimide amine type connexons and its application | 上海新理念生物医药科技有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-103933575-B | A kind of three flute profile connexons and its application | 上海新理念生物医药科技有限公司 | 2017-09-29 | — | — | CN | disclosed |
| US-6316652-B1 | MITOPLATIN METAL COMPLEXES THAT ARE CISPLATIN DERIVATIVES; ANTITUMOR, ANTICARCINOGENIC, ANTIDIABETIC AND ANTIARTHRITIC AGENTS | STELIOU, KOSTA | 2001-11-13 | — | — | US | disclosed |