⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80572 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27516539 | 0.96 | — | — | |
| SCHEMBL7812366 | 0.93 | — | — | |
| Phosphine SCHEMBL27707130 | 0.93 | — | — | |
| SCHEMBL27083621 | 0.87 | — | — | |
| SCHEMBL2401800 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL10580299 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL5473459 | 0.83 | — | — | |
| SCHEMBL3175271 | 0.83 | — | — | |
| SCHEMBL1348428 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1954043-B | Coated abrasive materials and method of manufacture | ELEMENT SIX PTY LTD | 2011-03-23 | — | — | CN | disclosed |
| CN-1954043-A | Coated abrasive materials and method of manufacture | ELEMENT SIX PTY LTD (ZA) | 2007-04-25 | — | — | CN | disclosed |