⚠ 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 SCHEMBL9314781 | 0.98 | ALOX15 (0.48) | — | |
| SCHEMBL9640608 | 0.79 | MGAM (0.43) | — | |
| SCHEMBL4057076 | 0.78 | — | — | |
| SCHEMBL932146 | 0.78 | — | — | |
| SCHEMBL873457 | 0.78 | GAA (0.67) | — | |
| Hydrochloric Acid SCHEMBL10722495 | 0.76 | MGAM (0.41) | — | |
| Hydrochloric Acid SCHEMBL7367447 | 0.76 | GAA (0.44) | — | |
| Hydrochloric Acid SCHEMBL4057071 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL8277426 | 0.76 | GAA (0.50) | — | |
| Hydrochloric Acid SCHEMBL282717 | 0.76 | GAA (0.64) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090318691-A1 | Novel Aromatic AZA Heterocycles, Method of Production and Use of the Material in Organic Electronics | OSRAM OPTO SEMICONDUCTORS GMBH (DE) | 2009-12-24 | — | — | US | disclosed |
| WO-1993023402-A1 | 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-11-25 | — | — | WO | disclosed |