⚠ 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 | |
|---|---|---|---|---|
| 1,1,2,2-Tetrachloroethane SCHEMBL8799755 | 0.82 | ALDH1A1 (0.56) | — | |
| Chloroform SCHEMBL258696 | 0.80 | — | — | |
| Chloroform SCHEMBL28755045 | 0.80 | ALDH1A1 (0.57) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL2564 | 0.79 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL8872399 | 0.79 | TDP1 (1.00) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL11701489 | 0.78 | TDP1 (0.50) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL11501345 | 0.78 | TDP1 (0.50) | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL8650434 | 0.72 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL15515304 | 0.72 | — | — | |
| 1,1,2,2-Tetrachloroethane SCHEMBL28805230 | 0.72 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2020411-A1 | SPIRO TETRACYCLIC COMPOUND | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2009-02-04 | — | — | EP | disclosed |
| EP-0572429-B1 | SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF | BASF AG (DE) | 2001-04-18 | — | — | EP | disclosed |
| EP-0469460-B1 | Herbicidal sulphonylureas, method for their preparation and intermediates | BASF AG (DE) | 1995-10-18 | — | — | EP | disclosed |
| EP-0446743-B1 | Herbicidal sulfonylureas, process for their preparation and intermediates | BASF AG (DE) | 1995-08-02 | — | — | EP | disclosed |
| EP-0572429-A1 | SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF | BASF Aktiengesellschaft (DE) | 1993-12-08 | — | — | EP | disclosed |
| WO-1992014715-A1 | SULFONYL UREA DERIVATES, METHOD FOR PREPARING THEM AND USE THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 1992-09-03 | — | — | WO | disclosed |
| EP-0469460-A1 | Herbicidal sulphonylureas, method for their preparation and intermediates | BASF Aktiengesellschaft (DE) | 1992-02-05 | — | — | EP | disclosed |
| EP-0446743-A2 | Herbicidal sulfonylureas, process for their preparation and intermediates | BASF Aktiengesellschaft (DE) | 1991-09-18 | — | — | EP | disclosed |
| EP-0021213-B2 | AROMATIC POLYESTER PHOSPHONATES AND THEIR USE IN MAKING THERMOPLASTIC SHAPED ARTICLES | BAYER AG (DE) | 1987-12-23 | — | — | EP | disclosed |
| US-4486610-A | AROMATIC OR HALOGENATED HYDROCARBON | CIBA-GEIGY CORPORATION (US) | 1984-12-04 | — | — | US | disclosed |
| US-4304938-A | Process for the preparation of 3-phenoxybenzenes | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1981-12-08 | — | — | US | disclosed |