⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8656555 | 0.91 | — | — | |
| SCHEMBL16326990 | 0.87 | TYMS (0.41) | — | |
| SCHEMBL9682435 | 0.80 | — | — | |
| SCHEMBL11422416 | 0.79 | — | — | |
| SCHEMBL10782537 | 0.77 | — | — | |
| SCHEMBL13950632 | 0.76 | TRPM8 (0.43) | — | |
| SCHEMBL10620430 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL10621319 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL11417528 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL575557 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5728686-A | TREATMENT OF MUSCULAR DYSTROPHY | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-17 | — | — | US | disclosed |
| US-4056571-A | Process for the preparation of tertiary phosphine oxides | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |
| US-3996354-A | 1,3-Dihydro-1'-dimethylphosphinylalkyl-3-phenylspiro(isobenzofuran)s | AMERICAN HOECHST CORPORATION (US) | 1976-12-07 | — | — | US | disclosed |
| US-3962326-A | CARBOXYLIC ACID OR ANHYDRIDE, PHOSGENE, TRISUBSTITUTED PHOSPHINE OXIDE OR SULFIDE | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | disclosed |
| US-3931333-A | HYDROGEN CHLORIDE | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-01-06 | — | — | US | disclosed |