⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9814465 | 0.92 | — | — | |
| SCHEMBL11673918 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL11759856 | 0.82 | — | — | |
| SCHEMBL10955621 | 0.81 | — | — | |
| SCHEMBL9146192 | 0.81 | RAB9A (0.36) | — | |
| SCHEMBL10453408 | 0.81 | RAB9A (0.30) | — | |
| SCHEMBL10961398 | 0.77 | — | — | |
| SCHEMBL4528983 | 0.75 | — | — | |
| SCHEMBL9723500 | 0.73 | ALDH1A1 (0.33) | — | |
| 1,4-Butanediol SCHEMBL29204131 | 0.73 | ALDH1A1 (0.33) | — |
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-20130130922-A1 | ANALYSIS OF METHYLATION SITES | CENTRE FOR ADDICTION AND MENTAL HEALTH (CA) | 2013-05-23 | — | — | US | disclosed |
| EP-2594651-A1 | Analysis of methylation sites | Vilnius University (LT) | 2013-05-22 | — | — | EP | disclosed |
| US-4515727-A | ANTIALLERGY, ANTINFLAMMATORY | SYNTEX (U.S.A.) INC. (US) | 1985-05-07 | — | — | US | disclosed |
| US-4161608-A | 11 Hydroxy methyl 11-deoxyprostaglandin E1 | AYERST, MCKENNA AND HARRISON LIMITED (CA) | 1979-07-17 | — | — | US | disclosed |
| US-4100343-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-07-11 | — | — | US | disclosed |
| US-4089898-A | 11-Deoxyprostaglandin derivatives | AYERST, MCKENNA & HARRISON LTD. (CA) | 1978-05-16 | — | — | US | disclosed |
| US-4054741-A | Derivatives of prostanoic acid | AYERST MCKENNA & HARRISON LTD. (CA) | 1977-10-18 | — | — | US | disclosed |
| US-4036856-A | PROSTAGLANDINS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-07-19 | — | — | US | disclosed |
| US-4006136-A | Prostaglandin intermediates | AYERST MCKENNA AND HARRISON LTD. (CA) | 1977-02-01 | — | — | US | disclosed |