⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2963651 | 0.79 | FOLH1 (0.38) | — | |
| SCHEMBL21199723 | 0.75 | TSHR (0.56) | — | |
| SCHEMBL812086 | 0.74 | — | — | |
| SCHEMBL5181295 | 0.73 | — | — | |
| SCHEMBL342851 | 0.73 | — | — | |
| SCHEMBL309977 | 0.73 | — | — | |
| SCHEMBL22901432 | 0.72 | — | — | |
| SCHEMBL11243762 | 0.72 | — | — | |
| SCHEMBL8960277 | 0.72 | — | — | |
| SCHEMBL10841219 | 0.71 | — | — |
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-110776408-B | Purification method for acrolein | 赢创运营有限公司 | 2023-08-22 | — | — | CN | claimed |
| US-4246278-A | ANTIINFLAMMATORY SULFUR-CONTAINING ORGANIC ACIDS OR ESTERS OR THIOATES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | claimed |
| CN-110776408-B | Purification method for acrolein | 赢创运营有限公司 | 2023-08-22 | — | — | CN | disclosed |
| EP-1057808-B1 | Sulfur-containing unsaturated carboxylate compound and its use | MITSUI CHEMICALS INC (JP) | 2007-03-14 | — | — | EP | disclosed |
| US-6458908-B1 | A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS | MITSUI CHEMICALS, INC. (JP) | 2002-10-01 | — | — | US | disclosed |
| EP-1057808-A2 | Sulfur-containing unsaturated carboxylate compound and its use | Mitsui Chemicals, Inc. (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-4323517-A | ANTIPHLOGISTIC AGENTS | TROPONWERKE GMBH & CO. KG (DE) | 1982-04-06 | — | — | US | disclosed |
| US-4246278-A | ANTIINFLAMMATORY SULFUR-CONTAINING ORGANIC ACIDS OR ESTERS OR THIOATES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |
| US-4171435-A | ANTIMICROBIAL AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-10-16 | — | — | US | disclosed |
| US-4003893-A | ANTIBACTERIAL | E. R. SQUIBB & SONS, INC. (US) | 1977-01-18 | — | — | US | disclosed |