⚠ 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 SCHEMBL6701669 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1846220 | 0.85 | — | — | |
| Bromide SCHEMBL6700099 | 0.83 | — | — | |
| Bromide SCHEMBL6700096 | 0.83 | — | — | |
| Allylamine SCHEMBL8984860 | 0.80 | ALDH1A1 (0.35) | — | |
| Thiourea SCHEMBL29031905 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL4317340 | 0.77 | — | — | |
| Propionic Acid SCHEMBL5444675 | 0.73 | FFAR3 (0.32) | — | |
| Azelaic Acid SCHEMBL787258 | 0.71 | MAPT (0.43) | — | |
| Alanine SCHEMBL3261341 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0309844-B1 | PROCESS FOR THE PREPARATION OF CHLOROTHIOL FORMIATES | BASF Aktiengesellschaft (DE) | 1991-12-04 | — | — | EP | disclosed |
| EP-0192299-B1 | PROCESS FOR THE PREPARATION OF PYRIMIDINE AND 2-ALKYLPYRIMIDINE | STAMICARBON B.V. (NL) | 1990-08-29 | — | — | EP | disclosed |
| EP-0309844-A1 | Process for the preparation of chlorothiol formiates | BASF Aktiengesellschaft (DE) | 1989-04-05 | — | — | EP | disclosed |
| US-4775755-A | DIAMINOPROPANE OR TETRAHYDROPYRIMIDINE REACTED WITH FORMAMIDE | STAMICARBON B. V. (NL) | 1988-10-04 | — | — | US | disclosed |
| EP-0192299-A1 | Process for the preparation of pyrimidine and 2-alkylpyrimidine | STAMICARBON B.V. (NL) | 1986-08-27 | — | — | EP | disclosed |