⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18622148 | 0.62 | — | — | |
| SCHEMBL441788 | 0.59 | — | — | |
| SCHEMBL23375202 | 0.59 | KIF11 (0.30) | — | |
| SCHEMBL28111832 | 0.57 | CYP17A1 (0.36) | — | |
| SCHEMBL14038818 | 0.57 | TSHR (0.39) | — | |
| SCHEMBL18431531 | 0.57 | — | — | |
| SCHEMBL19475219 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL18641395 | 0.57 | HDAC8 (0.37) | — | |
| SCHEMBL23188113 | 0.57 | — | — | |
| SCHEMBL8690413 | 0.55 | CYP3A4 (0.38) | — |
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-20210094948-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-04-01 | — | — | US | disclosed |
| US-10647713-B2 | TYK2 inhibitors and uses thereof | NIMBUS LAKSHMI, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| US-20180134700-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-17 | — | — | US | disclosed |