⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL517518 | 1.00 | ALDH1A1 (0.50) | — | |
| SCHEMBL7195167 | 1.00 | — | — | |
| SCHEMBL24253 | 1.00 | — | — | |
| SCHEMBL10038449 | 1.00 | — | — | |
| SCHEMBL5895141 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4384943 | 0.95 | — | — | |
| SCHEMBL962671 | 0.95 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4777099 | 0.95 | ALDH1A1 (0.46) | — | |
| SCHEMBL1279200 | 0.95 | ALDH1A1 (0.46) | — | |
| SCHEMBL19866588 | 0.95 | ALDH1A1 (0.58) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6506908-B2 | From bicyclo(3.1.0)hexabe; decyclization; decarboxylation | MERCK & CO., INC. | 2003-01-14 | — | — | US | claimed |
| US-20020016492-A1 | Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones | MERCK SHARP & DOHME CORP. | 2002-02-07 | — | — | US | claimed |
| US-7091211-B2 | Cyclopentyl modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050070609-A1 | Cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2005-03-31 | — | — | US | disclosed |
| US-6506908-B2 | From bicyclo(3.1.0)hexabe; decyclization; decarboxylation | MERCK & CO., INC. | 2003-01-14 | — | — | US | disclosed |
| US-20020016492-A1 | Process for preparing 3-hydroxymethyl-4-(aryl or heterocyclic)-cyclopentanones | MERCK SHARP & DOHME CORP. | 2002-02-07 | — | — | US | disclosed |