⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18593199 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL18593134 | 0.75 | CYP11B1 (0.36) | — | |
| SCHEMBL18593130 | 0.71 | CYP11B1 (0.33) | — | |
| SCHEMBL18592944 | 0.69 | PRKDC (0.40) | — | |
| SCHEMBL14478094 | 0.68 | CYP11B1 (0.40) | — | |
| SCHEMBL18592982 | 0.68 | SMPD3 (0.44) | — | |
| SCHEMBL18593150 | 0.67 | JAK2 (0.38) | — | |
| SCHEMBL18592948 | 0.67 | JAK2 (0.37) | — | |
| SCHEMBL18593179 | 0.66 | JAK2 (0.40) | — | |
| SCHEMBL18592981 | 0.66 | JAK2 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10023571-B2 | TYK2 inhibitors and uses thereof | Nimbus Lakshimi, Inc. (US) | 2018-07-17 | — | — | US | disclosed |
| US-20170066763-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-09 | — | — | US | disclosed |
| US-20170066763-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-09 | — | — | US | disclosed |