⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6476357 | 0.70 | RARG (0.41) | — | |
| SCHEMBL7565165 | 0.70 | RARG (0.41) | — | |
| SCHEMBL7560510 | 0.65 | RXRA (0.40) | — | |
| SCHEMBL7560513 | 0.65 | RXRA (0.40) | — | |
| SCHEMBL7560853 | 0.65 | RXRA (0.48) | — | |
| SCHEMBL6476890 | 0.65 | RXRA (0.48) | — | |
| SCHEMBL6472528 | 0.60 | RXRA (0.46) | — | |
| SCHEMBL6526066 | 0.60 | RXRA (0.46) | — | |
| SCHEMBL7559742 | 0.59 | RXRA (0.56) | — | |
| SCHEMBL6473429 | 0.59 | RXRA (0.56) | — |
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-20030012803-A1 | Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2003-01-16 | — | — | US | claimed |
| US-6444709-B1 | SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS | GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) | 2002-09-03 | — | — | US | claimed |
| EP-0986537-B1 | NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME | GALDERMA RES & DEV (FR) | 2002-08-07 | — | — | EP | claimed |
| US-6921777-B2 | Heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2005-07-26 | — | — | US | disclosed |
| US-20030012803-A1 | Novel heteroethynylenic compounds and pharmaceutical and cosmetic compositions containing them | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2003-01-16 | — | — | US | disclosed |
| US-6444709-B1 | SKIN DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS | GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) | 2002-09-03 | — | — | US | disclosed |