⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6230725 | 0.75 | — | — | |
| SCHEMBL832312 | 0.71 | — | — | |
| Trichloroethane SCHEMBL10482068 | 0.59 | TSHR (1.00) | — | |
| Trichloroethane SCHEMBL3833855 | 0.59 | TSHR (1.00) | — | |
| SCHEMBL90709 | 0.59 | — | — | |
| SCHEMBL7490 | 0.59 | — | — | |
| SCHEMBL10649555 | 0.59 | — | — | |
| Trichloroethane SCHEMBL64609 | 0.59 | — | — | |
| Trichloroethane SCHEMBL16434 | 0.59 | — | — | |
| SCHEMBL10940715 | 0.58 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0003960-B1 | 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1983-06-29 | — | — | EP | claimed |
| US-7271281-B2 | Preparation of 2,3,3′,4′ -biphenyltetracarboxylic acid tetraester | UBE INDUSTRIES, LTD. (JP) | 2007-09-18 | — | — | US | disclosed |
| CN-100335466-C | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2007-09-05 | — | — | CN | disclosed |
| US-7223769-B2 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-29 | — | — | US | disclosed |
| EP-1483249-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20050171130-A1 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-08-04 | — | — | US | disclosed |
| CN-1639131-A | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL CO (JP) | 2005-07-13 | — | — | CN | disclosed |
| US-20050090683-A1 | Preparation of 2,3,3',4' -biphenyltetracarboxylic acid tetraester | UBE INDUSTRIES, LTD. (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-1483249-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | Sumitomo Chemical Company, Limited (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003076415-A1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-09-18 | — | — | WO | disclosed |
| EP-0163433-B1 | ANTIBACTERIAL SOLID COMPOSITION FOR ORAL ADMINISTATION | Takeda Chemical Industries, Ltd. (JP) | 1990-08-01 | — | — | EP | disclosed |
| US-4616008-A | LIPID-SOLUBLE CEPHALOSPORINS AND CYCLODEXTRINS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-10-07 | — | — | US | disclosed |
| EP-0163433-A2 | Antibacterial solid composition for oral administation | Takeda Chemical Industries, Ltd. (JP) | 1985-12-04 | — | — | EP | disclosed |
| EP-0035357-A1 | 2-Methylcephalosporins and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1981-09-09 | — | — | EP | disclosed |
| US-4112086-A | BACTERICIDE | SMITHKLINE CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |