⚠ 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 SCHEMBL9700681 | 0.98 | — | — | |
| SCHEMBL22645000 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9701327 | 0.75 | KDM4E (0.39) | — | |
| Hydrochloric Acid SCHEMBL10439284 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL10270760 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9702568 | 0.72 | ANPEP (0.36) | — | |
| SCHEMBL12657422 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9700667 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL24187705 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9701373 | 0.68 | CA12 (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 |
|---|---|---|---|---|---|---|---|
| US-5169867-A | Antitumor agents, anticarcinogenic agents | CIBA-GEIGY CORPORATION (US) | 1992-12-08 | — | — | US | claimed |
| EP-0452264-A1 | Hydroxylamine compounds | CIBA-GEIGY AG (CH) | 1991-10-16 | — | — | EP | claimed |