⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL33527286 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL31752594 | 0.97 | — | — | |
| SCHEMBL29060650 | 0.79 | — | — | |
| SCHEMBL1991720 | 0.74 | — | — | |
| SCHEMBL519987 | 0.74 | — | — | |
| SCHEMBL28149648 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL359881 | 0.71 | — | — | |
| SCHEMBL195908 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL773202 | 0.71 | — | — | |
| Methane SCHEMBL7046053 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016029021-A1 | GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES | SAMUMED, LLC (US) | 2016-02-25 | — | — | WO | disclosed |
| US-20120149630-A1 | END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-06-14 | — | — | US | disclosed |
| US-5025011-A | Calcium-antigonist and beta-blocking properties; antihypertensives; vasodilators | SIMES, SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) | 1991-06-18 | — | — | US | disclosed |
| EP-0362908-A2 | 1,4-Dihydropyridine dicarboxylic acid derivatives | ZAMBON GROUP S.p.A. (IT) | 1990-04-11 | — | — | EP | disclosed |