⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9794154 | 0.82 | — | — | |
| SCHEMBL6918516 | 0.76 | — | — | |
| SCHEMBL28477 | 0.72 | — | — | |
| SCHEMBL31432779 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL15810776 | 0.71 | — | — | |
| SCHEMBL8278 | 0.67 | — | — | |
| SCHEMBL1985837 | 0.65 | — | — | |
| SCHEMBL5609364 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16047936 | 0.65 | — | — | |
| SCHEMBL31222804 | 0.64 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507175-B | Novel inhibitors of hypnotins alpha and beta | 维沃里翁治疗股份有限公司 | 2024-10-01 | — | — | CN | disclosed |
| EP-2800750-A1 | CARBOCYCLIC NUCLEOSIDES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Cellceutix Corporation (US) | 2014-11-12 | — | — | EP | disclosed |
| WO-2013103601-A1 | CARBOCYCLIC NUCLEOSIDES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CELLCEUTIX CORPORATION (US) | 2013-07-11 | — | — | WO | disclosed |
| US-20070060603-A1 | Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds | PFIZER INC. | 2007-03-15 | — | — | US | disclosed |