⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9460184 | 0.82 | — | — | |
| SCHEMBL16579802 | 0.82 | BACE1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11228046 | 0.80 | — | — | |
| SCHEMBL365305 | 0.80 | — | — | |
| SCHEMBL5924432 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1518279 | 0.78 | HRH4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL4540563 | 0.78 | HRH4 (0.36) | — | |
| SCHEMBL926964 | 0.78 | HSD17B10 (0.45) | — | |
| SCHEMBL1518260 | 0.77 | HRH3 (0.38) | — | |
| SCHEMBL12598559 | 0.76 | MPO (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0473626-A1 | NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-03-11 | — | — | EP | disclosed |