⚠ 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 SCHEMBL8068553 | 0.84 | KMT2A (0.36) | — | |
| SCHEMBL313063 | 0.82 | — | — | |
| SCHEMBL28622909 | 0.79 | KMT2A (0.36) | — | |
| Water SCHEMBL28100748 | 0.79 | KMT2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL28191827 | 0.76 | KMT2A (0.34) | — | |
| Bicarbonate SCHEMBL9005252 | 0.76 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL29455645 | 0.73 | CA1 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL27500303 | 0.72 | — | — | |
| Succinic Acid SCHEMBL27488126 | 0.72 | LMNA (0.50) | — | |
| Carbamic Acid SCHEMBL2476276 | 0.71 | ACHE (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3007769-A | — | — | None | — | — | JP | disclosed |
| JP-H037769-A | NOVEL PRODUCTION OF REACTIVE DYE | NIPPON KAYAKU CO LTD | 1991-01-14 | — | — | JP | disclosed |