⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6050817 | 0.72 | — | — | |
| SCHEMBL380447 | 0.71 | — | — | |
| SCHEMBL15015036 | 0.69 | — | — | |
| SCHEMBL18456724 | 0.65 | — | — | |
| SCHEMBL468003 | 0.65 | — | — | |
| SCHEMBL3123284 | 0.65 | — | — | |
| SCHEMBL28513715 | 0.64 | TSHR (0.62) | — | |
| SCHEMBL18662382 | 0.63 | — | — | |
| SCHEMBL22179430 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL9255979 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |
| WO-2016044585-A1 | ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |