⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64807 | 1.00 | — | — | |
| SCHEMBL12657638 | 1.00 | — | — | |
| SCHEMBL12806444 | 1.00 | — | — | |
| SCHEMBL1783097 | 0.85 | ACE2 (0.50) | — | |
| SCHEMBL13410354 | 0.84 | GABRR1 (0.46) | — | |
| SCHEMBL7916216 | 0.83 | — | — | |
| SCHEMBL10037941 | 0.83 | — | — | |
| SCHEMBL7546267 | 0.83 | — | — | |
| SCHEMBL859004 | 0.83 | — | — | |
| SCHEMBL8064226 | 0.81 | CA1 (0.64) | — |
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-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |
| EP-0003883-B1 | AMINO-DIBENZOPYRANS, THEIR PREPARATION, FORMULATIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS | ELI LILLY AND COMPANY (US) | 1982-10-06 | — | — | EP | disclosed |
| US-4195025-A | 9-Amino-dibenzopyrans | ELI LILLY AND COMPANY (US) | 1980-03-25 | — | — | US | disclosed |
| EP-0003883-A1 | Amino-dibenzopyrans, their preparation, formulations containing them and their use as pharmaceuticals | ELI LILLY AND COMPANY (US) | 1979-09-05 | — | — | EP | disclosed |
| US-4152450-A | 9-Amino-dibenzopyrans | ELI LILLY AND COMPANY (US) | 1979-05-01 | — | — | US | disclosed |