⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8739765 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL14985819 | 0.60 | MEN1 (0.30) | — | |
| SCHEMBL16426602 | 0.58 | HDAC6 (0.47) | — | |
| SCHEMBL7173563 | 0.53 | MYC (0.52) | — | |
| Phthalic Acid SCHEMBL28606819 | 0.52 | ALDH1A1 (0.54) | — | |
| SCHEMBL1683151 | 0.52 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL28358177 | 0.51 | KMT2A (0.58) | — | |
| SCHEMBL1668024 | 0.51 | TP53 (0.53) | — | |
| SCHEMBL537276 | 0.50 | MEN1 (0.68) | — | |
| Ammonia Solution, Strong SCHEMBL27451904 | 0.50 | TP53 (0.51) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544454-B2 | Photoreceptor layer having rhodamine additive | XEROX CORPORATION (US) | 2009-06-09 | — | — | US | disclosed |