⚠ 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 | |
|---|---|---|---|---|
| Isopropylamine SCHEMBL11144824 | 0.90 | ALDH1A1 (0.33) | — | |
| Isopropylamine SCHEMBL29355066 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL10625984 | 0.79 | — | — | |
| SCHEMBL22719 | 0.78 | — | — | |
| L-Alaninol SCHEMBL6400878 | 0.73 | TSHR (0.41) | — | |
| Isopropylamine SCHEMBL9437112 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7523857 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6209209 | 0.72 | — | — | |
| SCHEMBL17459063 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3382668 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3242688-A1 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | Reiley Pharmaceuticals, Inc. (US) | 2017-11-15 | — | — | EP | claimed |
| WO-2016111834-A1 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | Reiley Pharmaceuticals, Inc. (US) | 2016-07-14 | — | — | WO | claimed |
| EP-3242688-A1 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | Reiley Pharmaceuticals, Inc. (US) | 2017-11-15 | — | — | EP | disclosed |
| WO-2016111834-A1 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | Reiley Pharmaceuticals, Inc. (US) | 2016-07-14 | — | — | WO | disclosed |