⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1316560 | 0.96 | ESR2 (0.46) | — | |
| SCHEMBL2267415 | 0.96 | ESR2 (0.46) | — | |
| SCHEMBL297828 | 0.96 | ESR2 (0.46) | — | |
| SCHEMBL27912 | 0.96 | ESR2 (0.46) | — | |
| SCHEMBL4610 | 0.96 | — | — | |
| SCHEMBL130642 | 0.96 | ESR2 (0.46) | — | |
| Phosphine SCHEMBL23581883 | 0.92 | ESR1 (0.44) | — | |
| SCHEMBL8744483 | 0.92 | ESR1 (0.44) | — | |
| Water SCHEMBL9548508 | 0.92 | ESR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL11684727 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102596890-A | Esters as perfuming ingredients | FIRMENICH & CIE | 2012-07-18 | — | — | CN | disclosed |
| CN-101605758-A | Methods of treating hepatitis C | PTC THERAPEUTICS INC (US) | 2009-12-16 | — | — | CN | disclosed |
| CN-101541748-A | Methods for treating hepatitis C | PTC THERAPEUTICS INC (US) | 2009-09-23 | — | — | CN | disclosed |
| CN-1964985-A | 3-beta-D-ribofuranosyl thiazolo [4, 5-D ] pyrimidine nucleosides and uses thereof | ANADYS PHARMACEUTICALS INC (US) | 2007-05-16 | — | — | CN | disclosed |
| US-4316021-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4243813-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| US-4196125-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1980-04-01 | — | — | US | disclosed |
| US-4118573-A | ANTIVIRAL AGENTS | ELI LILLY AND COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-4018790-A | VIRICIDES | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |