⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2531285 | 0.92 | KMT2A (0.50) | — | |
| SCHEMBL96838 | 0.90 | KMT2A (0.54) | — | |
| SCHEMBL2528165 | 0.90 | KMT2A (0.54) | — | |
| SCHEMBL2526286 | 0.89 | CES1 (0.52) | — | |
| SCHEMBL2533966 | 0.86 | KMT2A (0.62) | — | |
| SCHEMBL5194043 | 0.85 | KMT2A (0.59) | — | |
| SCHEMBL16663701 | 0.85 | MAPT (0.52) | — | |
| SCHEMBL2531636 | 0.84 | KMT2A (0.67) | — | |
| SCHEMBL109288 | 0.82 | — | — | |
| SCHEMBL20913016 | 0.82 | CES1 (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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| EP-0800116-B1 | Photoresist composition | MITSUBISHI CHEM CORP (JP) | 2001-08-22 | — | — | EP | disclosed |
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |
| EP-0895127-A2 | Photoresist composition | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-02-03 | — | — | EP | disclosed |
| CN-1189824-A | 1-amino-3-benzyluracils | BASF AG (DE) | 1998-08-05 | — | — | CN | disclosed |
| US-5759736-A | Photoresist composition | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-06-02 | — | — | US | disclosed |
| EP-0835248-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-15 | — | — | EP | disclosed |
| EP-0800116-A1 | Photoresist composition | Mitsubishi Chemical Corporation (JP) | 1997-10-08 | — | — | EP | disclosed |
| WO-1997001543-A1 | 1-AMINO-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-16 | — | — | WO | disclosed |
| US-5358949-A | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-25 | — | — | US | disclosed |
| US-5254657-A | Amine containing polysiloxane, isocyanate containing organo silicon compound, curing catalyst | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1993-10-19 | — | — | US | disclosed |
| EP-0236140-A2 | Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-09-09 | — | — | EP | disclosed |