⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL1439211 | 1.00 | — | — | |
| SCHEMBL7960126 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL16270 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL7957715 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL18454277 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL1923266 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL1201897 | 0.97 | KMT2A (0.30) | — | |
| SCHEMBL9496945 | 0.97 | KMT2A (0.30) | — | |
| Iodide SCHEMBL31657057 | 0.93 | — | — | |
| Fluoride SCHEMBL11131881 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5143999-A | For sealing, adhesives, molding resins, casting resins or coating compositions | CIBA-GEIGY CORPORATION (US) | 1992-09-01 | — | — | US | disclosed |