⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11417955 | 0.62 | — | — | |
| SCHEMBL340276 | 0.59 | — | — | |
| SCHEMBL11045275 | 0.59 | — | — | |
| SCHEMBL31520155 | 0.56 | — | — | |
| SCHEMBL31520152 | 0.56 | — | — | |
| SCHEMBL10525209 | 0.53 | — | — | |
| SCHEMBL6337 | 0.53 | — | — | |
| SCHEMBL574380 | 0.53 | — | — | |
| SCHEMBL8442506 | 0.53 | — | — | |
| Propane SCHEMBL23930374 | 0.50 | ALDH1A1 (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5534157-A | PREVENTING CALCIUM SULFITE SCALE, FLUE GAS SCRUBBER SYSTEMS | CALGON CORPORATION (US) | 1996-07-09 | — | — | US | claimed |
| US-20170096691-A1 | SELECTIVE ADVANTAGE IN FERMENTATION | NOVOGY, INC. (US) | 2017-04-06 | — | — | US | disclosed |
| US-20160215274-A1 | MICROORGANISMS ENGINEERED TO USE UNCONVENTIONAL SOURCES OF PHOSPHOROUS OR SULFUR | GINKGO BIOWORKS, INC. | 2016-07-28 | — | — | US | disclosed |
| US-20080317834-A1 | Compounds and methods for modulating cerebral amyloid angiopathy | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2008-12-25 | — | — | US | disclosed |
| US-20070078082-A1 | Methods and compositions to treat glycosaminoglycan-associated molecular interactions | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2007-04-05 | — | — | US | disclosed |