⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28313790 | 0.84 | CA2 (0.36) | — | |
| SCHEMBL6363952 | 0.80 | CA2 (0.42) | — | |
| SCHEMBL9929755 | 0.80 | CA2 (0.34) | — | |
| SCHEMBL9162736 | 0.78 | — | — | |
| SCHEMBL545917 | 0.77 | — | — | |
| SCHEMBL1111713 | 0.76 | — | — | |
| SCHEMBL27682612 | 0.76 | — | — | |
| SCHEMBL2151209 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL18110402 | 0.74 | CA12 (0.34) | — | |
| Hydrochloric Acid SCHEMBL11522026 | 0.74 | HDAC1 (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006090244-A1 | NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS S.A. (US) | 2006-08-31 | — | — | WO | claimed |
| CN-105008362-A | Pyrrolo [2,3-D ] pyrimidine derivatives as janus-related kinase (JAK) inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |
| WO-2006090244-A1 | NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS S.A. (US) | 2006-08-31 | — | — | WO | disclosed |
| US-4883880-A | Process for the preparation of sulfoalkyl quaternary salts and for the production of alkane sultones | AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) | 1989-11-28 | — | — | US | disclosed |
| EP-0099021-B1 | PROCESS FOR THE PREPARATION OF ALKANE SULTONES | Agfa-Gevaert AG (DE) | 1985-12-18 | — | — | EP | disclosed |
| EP-0099021-A1 | Process for the preparation of alkane sultones | Agfa-Gevaert AG (DE) | 1984-01-25 | — | — | EP | disclosed |
| EP-0027906-B1 | PROCESS FOR PREPARING SULPHON AMIDES | BAYER AG (DE) | 1983-05-25 | — | — | EP | disclosed |
| EP-0027906-A1 | Process for preparing sulphon amides | BAYER AG (DE) | 1981-05-06 | — | — | EP | disclosed |
| US-4163013-A | Diphenylamine-azo-hydrocarbylsulfonylphenyl dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-31 | — | — | US | disclosed |
| US-4060549-A | Process for preparing sulfonic acid fluorides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |