⚠ 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 SCHEMBL3734906 | 0.57 | — | — | |
| SCHEMBL23577981 | 0.56 | ALPL (0.33) | — | |
| SCHEMBL20663196 | 0.50 | — | — | |
| SCHEMBL6718535 | 0.44 | — | — | |
| SCHEMBL4590897 | 0.40 | — | — | |
| Hydroquinone SCHEMBL31178088 | 0.36 | — | — | |
| SCHEMBL320324 | 0.36 | — | — | |
| SCHEMBL6718539 | 0.33 | — | — | |
| Hydroxyamine SCHEMBL30380637 | 0.33 | — | — | |
| SCHEMBL324870 | 0.33 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5502187-A | Pharmaceutically active bicyclic-heterocyclic amines | THE UPJOHN COMPANY (US) | 1996-03-26 | — | — | US | disclosed |
| EP-0633886-A1 | PHARMACEUTICALLY ACTIVE BICYCLIC-HETEROCYCLIC AMINES | PHARMACIA & UPJOHN COMPANY (US) | 1995-01-18 | — | — | EP | disclosed |
| WO-1993020078-A1 | PHARMACEUTICALLY ACTIVE BICYCLIC-HETEROCYCLIC AMINES | THE UPJOHN COMPANY (US) | 1993-10-14 | — | — | WO | disclosed |