⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27889472 | 0.85 | — | — | |
| SCHEMBL31346726 | 0.78 | — | — | |
| SCHEMBL11508050 | 0.76 | — | — | |
| SCHEMBL28520747 | 0.75 | TSHR (0.43) | — | |
| SCHEMBL1724332 | 0.74 | — | — | |
| SCHEMBL7890402 | 0.74 | — | — | |
| SCHEMBL18862614 | 0.74 | — | — | |
| SCHEMBL6703853 | 0.73 | — | — | |
| SCHEMBL11368551 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL4198593 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114609309-A | Pretreatment method for measuring tacrolimus ointment related substances | 山东达因海洋生物制药股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| US-6888022-B2 | Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis | ATHENA NEUROSCIENCES, INC. (US) | 2005-05-03 | — | — | US | disclosed |
| US-20020052322-A1 | Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis | ELAN PHARMACEUTICALS, INC. | 2002-05-02 | — | — | US | disclosed |
| US-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| US-4675341-A | BRAIN INJURIES; PREVENTION OF EDEMA | MERCK & CO., INC. (US) | 1987-06-23 | — | — | US | disclosed |