⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16391472 | 0.86 | — | — | |
| SCHEMBL1940063 | 0.75 | — | — | |
| SCHEMBL5525834 | 0.75 | — | — | |
| SCHEMBL2447626 | 0.75 | — | — | |
| SCHEMBL17656840 | 0.75 | — | — | |
| SCHEMBL10900465 | 0.73 | — | — | |
| SCHEMBL1939400 | 0.73 | — | — | |
| SCHEMBL219831 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL7630594 | 0.71 | THRB (0.33) | — | |
| SCHEMBL35107 | 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0010183-B1 | 3,3-BISFLUOROMETHYL-BUTAN-2-ONE AND PROCESS FOR ITS PREPARATION | BAYER AG (DE) | 1982-06-16 | — | — | EP | claimed |
| EP-0247472-B1 | PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES | BAYER AG (DE) | 1992-02-12 | — | — | EP | disclosed |
| EP-0247485-B1 | PROCESS FOR THE PREPARATION OF OXETAN-3-CARBOXYLIC ACIDS | BAYER AG (DE) | 1991-04-17 | — | — | EP | disclosed |
| EP-0247481-B1 | PROCESS FOR THE PREPARATION OF 2,2-BIS-CHLOROMETHYL-ALKANE-CARBOXYLIC-ACID CHLORIDES | BAYER AG (DE) | 1989-11-08 | — | — | EP | disclosed |
| US-4871484-A | Process for the preparation of 2,2-bis-chloro-methylalkanecarboxylic acid chlorides | BAYER AKTIENGESELLSCHAFT (DE) | 1989-10-03 | — | — | US | disclosed |
| US-4824975-A | OXIDATION OF 3-/HYDROXYMETHYL/OXETANE | BAYER AKTIENGESELLSCHAFT (DE) | 1989-04-25 | — | — | US | disclosed |
| EP-0144044-B1 | SUBSTITUTED ACETYLENIC KETONES | BAYER AG (DE) | 1988-03-02 | — | — | EP | disclosed |
| EP-0144033-B1 | SUBSTITUTED 5-CYCLOALKYL-2,2-DIMETHYL-PENTAN-3-ONE | BAYER AG (DE) | 1988-01-20 | — | — | EP | disclosed |
| EP-0247481-A1 | Process for the preparation of 2,2-bis-chloromethyl-alkane-carboxylic-acid chlorides | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |
| EP-0247472-A2 | Process for the preparation of carboxylic acid derivatives | BAYER AG (DE) | 1987-12-02 | — | — | EP | disclosed |
| US-4267381-A | SYNTHESIS OF FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-12 | — | — | US | disclosed |
| EP-0026856-A1 | Antimycotic agent containing an acylated imidazolyl-gamma-fluorpinacolyl derivative and its preparation | BAYER AG (DE) | 1981-04-15 | — | — | EP | disclosed |
| EP-0025948-A1 | Acylated imidazolyl-gamma-fluoropinacolyl derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1981-04-01 | — | — | EP | disclosed |
| EP-0025949-A1 | Acylated triazolyl-gamma-fluoropinacolyl derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1981-04-01 | — | — | EP | disclosed |
| EP-0019730-A1 | Antimycotic agent, process for its preparation | BAYER AG (DE) | 1980-12-10 | — | — | EP | disclosed |
| EP-0019134-A1 | Fluorinated 1-imidazolyl-butane derivatives, process for their preparation and their application as fungicides | BAYER AG (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0019131-A1 | Fluorinated derivatives of 1-triazolyl butane, process for their preparation and their use as fungicides | BAYER AG (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0019130-A1 | Antimycotic agents and process for preparing them | BAYER AG (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0010183-A1 | 3,3-bisfluoromethyl-butan-2-one and process for its preparation | BAYER AG (DE) | 1980-04-30 | — | — | EP | disclosed |
| EP-0010183-A1 | 3,3-bisfluoromethyl-butan-2-one and process for its preparation | BAYER AG (DE) | 1980-04-30 | — | — | EP | disclosed |