⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5709189 | 0.78 | — | — | |
| SCHEMBL410817 | 0.77 | MAPK10 (0.37) | — | |
| SCHEMBL14322201 | 0.75 | — | — | |
| SCHEMBL23426205 | 0.75 | — | — | |
| SCHEMBL14322200 | 0.75 | — | — | |
| SCHEMBL445018 | 0.72 | — | — | |
| SCHEMBL6255611 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL1064256 | 0.69 | — | — | |
| SCHEMBL210298 | 0.69 | — | — | |
| SCHEMBL2908375 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4172093-A | Pharmacodynamically active indan derivatives | AB KABI (SE) | 1979-10-23 | — | — | US | disclosed |
| US-4165384-A | ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS | AKTIEBOLAGET HASSLE (SE) | 1979-08-21 | — | — | US | disclosed |