⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL156442 | 0.97 | — | — | |
| Ethane SCHEMBL17965420 | 0.95 | TYR (0.95) | — | |
| SCHEMBL3813709 | 0.73 | — | — | |
| SCHEMBL4741973 | 0.70 | — | — | |
| SCHEMBL7550054 | 0.67 | — | — | |
| SCHEMBL11301962 | 0.67 | TYR (0.52) | — | |
| SCHEMBL15962395 | 0.67 | — | — | |
| SCHEMBL21554352 | 0.67 | — | — | |
| SCHEMBL11518344 | 0.67 | — | — | |
| SCHEMBL4582932 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2015647-A2 | IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS | UNILEVER N.V. (NL) | 2009-01-21 | — | — | EP | disclosed |
| WO-2006037449-A2 | IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS | UNILEVER N.V. (NL) | 2006-04-13 | — | — | WO | disclosed |
| US-20060078594-A1 | Iron complex | CONOPCO, INC., D/B/A UNILEVER | 2006-04-13 | — | — | US | disclosed |