⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1726764 | 1.00 | — | — | |
| SCHEMBL5024292 | 1.00 | — | — | |
| SCHEMBL12153077 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL6773968 | 0.97 | CCR5 (0.47) | — | |
| Hydrochloric Acid SCHEMBL6773969 | 0.97 | CCR5 (0.47) | — | |
| SCHEMBL16637274 | 0.88 | CCR5 (0.44) | — | |
| SCHEMBL30539390 | 0.88 | CCR5 (0.44) | — | |
| Hydrochloric Acid SCHEMBL6777912 | 0.85 | CCR5 (0.42) | — | |
| Hydrochloric Acid SCHEMBL6777914 | 0.85 | CCR5 (0.42) | — | |
| SCHEMBL21561562 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10189836-B2 | Therapeutic compounds, compositions and methods of use thereof | GENENTECH, INC. (US) | 2019-01-29 | — | — | US | disclosed |
| EP-3390402-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2018-10-24 | — | — | EP | disclosed |
| US-20180297997-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-10-18 | — | — | US | disclosed |
| WO-2017103188-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-22 | — | — | WO | disclosed |
| WO-2008044702-A1 | PROCESS FOR PRODUCTION OF AZABICYCLOALKANOL DERIVATIVE | NIPPON SODA CO., LTD. (JP) | 2008-04-17 | — | — | WO | disclosed |