⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8715654 | 0.94 | — | — | |
| Cyclohexane SCHEMBL8719141 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL8719152 | 0.76 | — | — | |
| SCHEMBL8719153 | 0.76 | — | — | |
| SCHEMBL8715211 | 0.75 | CACNA1B (0.33) | — | |
| SCHEMBL8718871 | 0.74 | — | — | |
| SCHEMBL6232511 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1288241 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL8718561 | 0.65 | IDO1 (0.49) | — | |
| SCHEMBL8718564 | 0.65 | IDO1 (0.49) | — |
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-5208228-A | Skin disorders | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| WO-1992020688-A1 | AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES | MERCK & CO., INC. (US) | 1992-11-26 | — | — | WO | disclosed |
| US-5162334-A | Amino O-alkyl, O-alkenyl and O-alkynlmacrolides having immunosuppressive activity | MERCK & CO., INC. (US) | 1992-11-10 | — | — | US | disclosed |