⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28986982 | 0.78 | — | — | |
| SCHEMBL28986983 | 0.74 | FDPS (0.35) | — | |
| SCHEMBL5706104 | 0.73 | — | — | |
| SCHEMBL7149289 | 0.73 | — | — | |
| SCHEMBL4739928 | 0.73 | — | — | |
| SCHEMBL29416264 | 0.71 | — | — | |
| SCHEMBL6227350 | 0.71 | — | — | |
| SCHEMBL468215 | 0.71 | — | — | |
| SCHEMBL29468563 | 0.71 | — | — | |
| SCHEMBL18814272 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1368482-A2 | NITRILE HYDRATASE AND A METHOD FOR PRODUCING AMIDES | Daicel Chemical Industries, Ltd. (JP) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002070717-A3 | NITRILE HYDRATASE AND A METHOD FOR PRODUCING AMIDES | DAICEL CHEM (JP) | 2003-03-27 | — | — | WO | disclosed |
| WO-2002070717-A2 | NITRILE HYDRATASE AND A METHOD FOR PRODUCING AMIDES | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-09-12 | — | — | WO | disclosed |
| EP-0731079-B1 | Process for producing a carboxylic acid | DAICEL CHEM (JP) | 2000-06-14 | — | — | EP | disclosed |
| US-5763652-A | Process for producing a carboxylic acid | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-09 | — | — | US | disclosed |
| CN-1138020-A | Process for producing carboxylic acid | DAICEL CHEM (JP) | 1996-12-18 | — | — | CN | disclosed |
| EP-0731079-A2 | Process for producing a carboxylic acid | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-11 | — | — | EP | disclosed |