⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13976480 | 0.78 | — | — | |
| SCHEMBL20222922 | 0.71 | — | — | |
| SCHEMBL13737782 | 0.67 | GAA (0.32) | — | |
| SCHEMBL10792936 | 0.62 | GAA (0.34) | — | |
| SCHEMBL13976479 | 0.60 | — | — | |
| SCHEMBL9697809 | 0.58 | — | — | |
| SCHEMBL6956406 | 0.57 | — | — | |
| SCHEMBL1698550 | 0.57 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL2624362 | 0.56 | — | — | |
| SCHEMBL16609933 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180215729-A1 | NK 1 ANTAGONISTS | OPKO HEALTH, INC. | 2018-08-02 | — | — | US | disclosed |
| US-9969711-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2018-05-15 | — | — | US | disclosed |
| US-20170029403-A1 | NK 1 ANTAGONISTS | OPKO HEALTH, INC. | 2017-02-02 | — | — | US | disclosed |
| US-9469629-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20140296196-A1 | NK1 ANTAGONISTS | OPKO HEALTH, INC. | 2014-10-02 | — | — | US | disclosed |
| US-20120295879-A1 | NK1 Antagonists | OPKO HEALTH, INC. (US) | 2012-11-22 | — | — | US | disclosed |