⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7986463 | 1.00 | — | — | |
| SCHEMBL7499780 | 1.00 | — | — | |
| SCHEMBL7492677 | 0.82 | KDM1A (0.37) | — | |
| SCHEMBL6105150 | 0.82 | KDM1A (0.37) | — | |
| SCHEMBL7496120 | 0.82 | KDM1A (0.37) | — | |
| SCHEMBL7496135 | 0.82 | KDM1A (0.37) | — | |
| SCHEMBL7501116 | 0.76 | HTR2C (0.36) | — | |
| SCHEMBL7501110 | 0.76 | HTR2C (0.36) | — | |
| SCHEMBL7984976 | 0.68 | CCR5 (0.38) | — | |
| SCHEMBL7984985 | 0.68 | CCR5 (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| US-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| EP-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| WO-2000059497-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |