⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7320995 | 0.94 | — | — | |
| SCHEMBL8887381 | 0.84 | — | — | |
| SCHEMBL8887081 | 0.80 | CHRNB2 (0.42) | — | |
| SCHEMBL10357561 | 0.80 | HTR2A (0.49) | — | |
| SCHEMBL6055982 | 0.77 | DRD2 (0.49) | — | |
| SCHEMBL2070013 | 0.77 | DRD2 (0.49) | — | |
| SCHEMBL2152822 | 0.77 | DRD2 (0.49) | — | |
| SCHEMBL8885594 | 0.74 | — | — | |
| SCHEMBL8885600 | 0.74 | — | — | |
| SCHEMBL8885590 | 0.74 | — | — |
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-5643784-A | TREATMENT OF ANXIETY, DEPRESSION, SLEEPING DISORDERS, SCHIZOPHRENIA AND MIGRAINE | H, LUNDBECK A/S (DK) | 1997-07-01 | — | — | US | disclosed |
| EP-0560868-B1 | INDAN DERIVATIVES | LUNDBECK & CO AS H (DK) | 1995-04-19 | — | — | EP | disclosed |