⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10985667 | 0.87 | SLC6A2 (0.49) | — | |
| SCHEMBL8886689 | 0.81 | SLC6A2 (0.50) | — | |
| SCHEMBL8887381 | 0.81 | — | — | |
| SCHEMBL8887743 | 0.79 | CHRNB2 (0.43) | — | |
| SCHEMBL8886391 | 0.78 | SLC10A2 (0.41) | — | |
| SCHEMBL5709363 | 0.72 | SLC6A2 (0.37) | — | |
| SCHEMBL28835734 | 0.71 | CHRNB2 (0.40) | — | |
| SCHEMBL27680712 | 0.70 | TRPM5 (0.43) | — | |
| SCHEMBL6001920 | 0.69 | — | — | |
| SCHEMBL6001918 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1727785-A1 | PHENYL INDAN DERIVATIVES | H.Lundbeck A/S (DK) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005087708-A1 | PHENYL INDAN DERIVATIVES | H. LUNDBECK A/S (DK) | 2005-09-22 | — | — | WO | disclosed |
| EP-0035363-B1 | INDANE DERIVATIVES, METHODS OF THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | KEFALAS A/S (DK) | 1985-05-02 | — | — | EP | disclosed |
| US-4443448-A | ANALGESICS, ANTIDEPRESSANTS, NEUROLEPTICS | KEFALAS A/S (DK) | 1984-04-17 | — | — | US | disclosed |
| EP-0035363-A1 | Indane derivatives, methods of their preparation and compositions containing them | KEFALAS A/S (DK) | 1981-09-09 | — | — | EP | disclosed |