⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7957996 | 0.70 | — | — | |
| Giracodazole SCHEMBL1228801 | 0.66 | AOC3 (0.31) | — | |
| Giracodazole SCHEMBL29479373 | 0.66 | AOC3 (0.31) | — | |
| SCHEMBL12220780 | 0.65 | — | — | |
| SCHEMBL6767285 | 0.63 | BACE1 (0.30) | — | |
| SCHEMBL926966 | 0.61 | POLB (0.35) | — | |
| SCHEMBL18955199 | 0.58 | — | — | |
| SCHEMBL3194799 | 0.58 | SLC6A2 (0.59) | — | |
| SCHEMBL1885371 | 0.57 | — | — | |
| SCHEMBL3650426 | 0.56 | GABRA5 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3017064-A | — | — | None | — | — | JP | disclosed |
| JP-3005461-A | — | — | None | — | — | JP | disclosed |
| JP-H0317064-A | NEW ANTITUMOR AGENT, ITS PREPARATION AND USE | RHONE POULENC SANTE | 1991-01-25 | — | — | JP | disclosed |
| JP-H035461-A | PREPARATION OF 3-AMINO-1-(2-AMINO-1H-IMIDAZOL-4-YL)-2-CHLORO-1-PROPANOL IN THREO RACEMIC FORM AND SALT THEREOF | RHONE POULENC SANTE | 1991-01-11 | — | — | JP | disclosed |
| EP-0403318-A1 | Process for the preparation of an anti-tumor substance, 3-amino-1-(2-amino-1H-imidazolyl-4)-2-chloro-1-propanol and his salts in the threo-racemic-form, for use as a medicament | RHONE-POULENC SANTE (FR) | 1990-12-19 | — | — | EP | disclosed |
| EP-0403318-A1 | Process for the preparation of an anti-tumor substance, 3-amino-1-(2-amino-1H-imidazolyl-4)-2-chloro-1-propanol and his salts in the threo-racemic-form, for use as a medicament | RHONE-POULENC SANTE (FR) | 1990-12-19 | — | — | EP | disclosed |