⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31186840 | 0.82 | MAPT (0.34) | — | |
| SCHEMBL31186843 | 0.82 | MAPT (0.34) | — | |
| SCHEMBL23489133 | 0.78 | NAAA (0.38) | — | |
| SCHEMBL2343529 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2343532 | 0.75 | — | — | |
| SCHEMBL6497167 | 0.73 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6497169 | 0.73 | — | — | |
| SCHEMBL28400441 | 0.73 | TDP1 (0.42) | — | |
| SCHEMBL1407277 | 0.72 | — | — | |
| SCHEMBL16244957 | 0.72 | KDM4E (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101842473-B | Novel nitrile and amidoxime compounds and methods of preparation | EKC TECHNOLOGY INC | 2013-02-13 | — | — | CN | disclosed |
| CN-101842473-A | Novel nitrile and amidoxime compounds and methods of preparation | EKC TECHNOLOGY INC | 2010-09-22 | — | — | CN | disclosed |
| US-4115634-A | URETHANE BY POLYMERIZING POLYISOCYANATE AND COMPOUND WITH ACTIVE HYDROGEN, ORGANOMETALLIC CATALYST | AIR PRODUCTS & CHEMICALS, INC. (US) | 1978-09-19 | — | — | US | disclosed |