⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10880350 | 0.78 | RAB9A (0.37) | — | |
| SCHEMBL9166327 | 0.76 | CYP3A4 (0.44) | — | |
| SCHEMBL11050237 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL8645357 | 0.69 | CYP1B1 (0.32) | — | |
| SCHEMBL28834477 | 0.69 | ALDH1A1 (0.52) | — | |
| SCHEMBL3184890 | 0.67 | RAB9A (0.45) | — | |
| SCHEMBL10880353 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL8642760 | 0.66 | NPC1 (0.30) | — | |
| SCHEMBL9702270 | 0.66 | TGM2 (0.47) | — | |
| SCHEMBL8644186 | 0.65 | SRC (0.30) | — |
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-5498713-A | FIBER-REACTIVE DYES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-03-12 | — | — | US | disclosed |