⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8980012 | 0.75 | — | — | |
| SCHEMBL8914618 | 0.75 | — | — | |
| SCHEMBL420429 | 0.74 | — | — | |
| SCHEMBL8817403 | 0.71 | ESR1 (0.38) | — | |
| SCHEMBL7795133 | 0.70 | — | — | |
| SCHEMBL8560684 | 0.70 | CA1 (0.36) | — | |
| SCHEMBL776640 | 0.69 | NPC1 (0.36) | — | |
| SCHEMBL1283388 | 0.69 | NPC1 (0.36) | — | |
| SCHEMBL9548194 | 0.69 | — | — | |
| SCHEMBL9548195 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997025472-A1 | METHOD OF PRODUCING COLOURED NATURAL OR SYNTHETIC SUBSTRATES | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 1997-07-17 | — | — | WO | disclosed |