⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14989015 | 0.97 | SLC22A6 (0.58) | — | |
| SCHEMBL28788387 | 0.77 | SLC22A6 (0.46) | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL135293 | 0.76 | — | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL20483588 | 0.76 | — | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL17744957 | 0.76 | — | — | |
| SCHEMBL22261010 | 0.75 | PTGS1 (0.40) | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL25306432 | 0.74 | SLC22A6 (0.95) | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL164319 | 0.74 | SLC22A6 (0.95) | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL17749666 | 0.74 | SLC22A6 (0.95) | — | |
| 2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL29364135 | 0.74 | SLC22A6 (0.95) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112225646-B | Preparation method of bisphenol TMC | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | claimed |
| CN-112225646-A | Preparation method of bisphenol TMC | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | claimed |
| US-11821032-B2 | DNA sequencing reaction additive | IsoPlexis Corporation (US) | 2023-11-21 | — | — | US | disclosed |
| CN-112225646-B | Preparation method of bisphenol TMC | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-112225646-A | Preparation method of bisphenol TMC | 万华化学集团股份有限公司 | 2021-01-15 | — | — | CN | disclosed |
| EP-1352932-B1 | ink jet recording method | FUJIFILM CORP (JP) | 2007-09-26 | — | — | EP | disclosed |
| US-20030220418-A1 | Image forming method using oil-based ink composition | FUJI PHOTO FILM CO., LTD. | 2003-11-27 | — | — | US | disclosed |
| US-20030202080-A1 | Image forming method | FUJI PHOTO FILM CO., LTD. | 2003-10-30 | — | — | US | disclosed |
| EP-1352932-A1 | Image forming method | FUJI PHOTO FILM CO., LTD. (JP) | 2003-10-15 | — | — | EP | disclosed |
| US-5344694-A | Liquid developer for electrostatic photography | FUJI PHOTO FILM CO., LTD. (JP) | 1994-09-06 | — | — | US | disclosed |