⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8302552 | 0.55 | — | — | |
| SCHEMBL10083387 | 0.49 | — | — | |
| SCHEMBL12554695 | 0.49 | — | — | |
| SCHEMBL28635396 | 0.48 | — | — | |
| SCHEMBL20115119 | 0.48 | — | — | |
| SCHEMBL20367512 | 0.48 | — | — | |
| SCHEMBL21765382 | 0.48 | — | — | |
| SCHEMBL11335852 | 0.46 | — | — | |
| SCHEMBL22996608 | 0.45 | — | — | |
| SCHEMBL24111513 | 0.45 | — | — |
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-6174909-B1 | FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE | H. LUNDBECK A/S (DK) | 2001-01-16 | — | — | US | claimed |
| US-5998613-A | PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS | H. LUNDBECK A/S (DK) | 1999-12-07 | — | — | US | claimed |