⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8069890 | 0.77 | — | — | |
| SCHEMBL7894086 | 0.75 | — | — | |
| SCHEMBL7066106 | 0.74 | TP53 (0.50) | — | |
| SCHEMBL11598870 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL27615314 | 0.73 | — | — | |
| SCHEMBL11031213 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL3860656 | 0.73 | LMNA (0.47) | — | |
| Hydrochloric Acid SCHEMBL11048279 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL457918 | 0.71 | LAP3 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL10858881 | 0.71 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4673760-A | HIGH PROPORTION OF CIS ISOMERS | DYNAMIT NOBEL AG (DE) | 1987-06-16 | — | — | US | disclosed |
| US-4330482-A | Process for the preparation of halogenoalkenes | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-18 | — | — | US | disclosed |