⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7980475 | 0.98 | — | — | |
| SCHEMBL7980358 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL7980360 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL11856619 | 0.61 | ADRA1A (0.44) | — | |
| SCHEMBL9150411 | 0.59 | ACHE (0.52) | — | |
| SCHEMBL29129386 | 0.59 | — | — | |
| SCHEMBL28446992 | 0.58 | PARP1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL11490460 | 0.57 | LMNA (0.57) | — | |
| SCHEMBL5724839 | 0.57 | CHRM3 (0.45) | — | |
| SCHEMBL19695675 | 0.55 | — | — |
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 | disclosed |
| US-5998613-A | PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS | H. LUNDBECK A/S (DK) | 1999-12-07 | — | — | US | disclosed |