⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2362808 | 0.93 | CES2 (0.65) | — | |
| SCHEMBL10772520 | 0.91 | CES2 (0.69) | — | |
| SCHEMBL27531264 | 0.91 | CES2 (0.69) | — | |
| SCHEMBL21494396 | 0.91 | CES2 (0.69) | — | |
| SCHEMBL2871607 | 0.91 | CES2 (0.69) | — | |
| SCHEMBL7747953 | 0.91 | CES2 (0.69) | — | |
| SCHEMBL14182500 | 0.91 | CES2 (0.69) | — | |
| Ammonia Solution, Strong SCHEMBL28880991 | 0.89 | CES2 (0.67) | — | |
| SCHEMBL1569027 | 0.84 | — | — | |
| Urea SCHEMBL27704768 | 0.84 | CES1 (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651875-B1 | AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS | SIKA TECH AG (CH) | 2017-08-30 | — | — | EP | disclosed |
| EP-2465842-A1 | Amines with secondary aliphatic amines | Sika Technology AG (CH) | 2012-06-20 | — | — | EP | disclosed |
| EP-2194082-B1 | Aldimine and composition comprising aldimine | SIKA TECHNOLOGY AG (CH) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010063741-A1 | ALDIMINE AND COMPOSITION CONTAINING ALDIMINE | SIKA TECHNOLOGY AG (CH) | 2010-06-10 | — | — | WO | disclosed |
| EP-2194082-A1 | Aldimine and composition comprising aldimine | Sika Technology AG (CH) | 2010-06-09 | — | — | EP | disclosed |
| US-5395931-A | 6-amido-1-methyl-2-(substituted-thio)carbapenems | MERCK & CO., INC. (US) | 1995-03-07 | — | — | US | disclosed |
| US-5138050-A | 6-amido-1-methyl carbapenems | MERCK & CO., INC. (US) | 1992-08-11 | — | — | US | disclosed |
| WO-1990000170-A1 | NOVEL 6-AMIDO-1-METHYLCARBAPENEMS | MERCK & CO., INC. (US) | 1990-01-11 | — | — | WO | disclosed |
| EP-0350210-A2 | Novel 6-amido-1-methyl-2-(substituted-thio)-carbapenems | MERCK & CO. INC. (US) | 1990-01-10 | — | — | EP | disclosed |