⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21632411 | 0.81 | NR1I2 (0.33) | — | |
| SCHEMBL20594214 | 0.80 | — | — | |
| SCHEMBL22591967 | 0.79 | — | — | |
| SCHEMBL21657040 | 0.74 | — | — | |
| SCHEMBL21632345 | 0.74 | — | — | |
| SCHEMBL21657158 | 0.74 | — | — | |
| SCHEMBL21632416 | 0.72 | — | — | |
| SCHEMBL15314385 | 0.71 | — | — | |
| SCHEMBL30668362 | 0.69 | — | — | |
| SCHEMBL21632424 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0803504-B1 | The process of producing polythiol oligomer | HOYA CORP (JP) | 2001-09-19 | — | — | EP | claimed |
| US-5961889-A | REACTING 2,5-DIMERCAPTOMETHYL-1,4-DITHIANE (DMMD) WITH SULFUR IN A MOLAR RATIO 2:1 OR 3:2 IN THE PRESENCE OF A BASIC CATALYST | HOYA CORPORATION (JP) | 1999-10-05 | — | — | US | claimed |
| EP-0803504-A2 | The process of producing polythiol oligomer | HOYA CORPORATION (JP) | 1997-10-29 | — | — | EP | claimed |
| EP-0803504-B1 | The process of producing polythiol oligomer | HOYA CORP (JP) | 2001-09-19 | — | — | EP | disclosed |
| US-5961889-A | REACTING 2,5-DIMERCAPTOMETHYL-1,4-DITHIANE (DMMD) WITH SULFUR IN A MOLAR RATIO 2:1 OR 3:2 IN THE PRESENCE OF A BASIC CATALYST | HOYA CORPORATION (JP) | 1999-10-05 | — | — | US | disclosed |
| EP-0803504-A2 | The process of producing polythiol oligomer | HOYA CORPORATION (JP) | 1997-10-29 | — | — | EP | disclosed |