⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL239548 | 1.00 | — | — | |
| SCHEMBL8060438 | 1.00 | — | — | |
| SCHEMBL444171 | 0.97 | — | — | |
| SCHEMBL623962 | 0.90 | — | — | |
| SCHEMBL238200 | 0.82 | — | — | |
| SCHEMBL8060483 | 0.81 | — | — | |
| SCHEMBL8044913 | 0.81 | — | — | |
| SCHEMBL352171 | 0.81 | — | — | |
| SCHEMBL38296 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL22116424 | 0.78 | ALDH1A1 (0.32) | — |
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-4104380-A | Dibenzyl glycolic acid derivatives | WARNER-LAMBERT COMPANY (US) | 1978-08-01 | — | — | US | claimed |
| US-6140333-A | FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-10-31 | — | — | US | disclosed |
| US-4353826-A | ANTITUBERCULAR ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |
| US-4261891-A | BACTERICIDES, ANTITUBERCULAR AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| US-4005077-A | DERIVATIVES OF RIFAMYCIN S OR SV | CIBA-GEIGY CORPORATION (US) | 1977-01-25 | — | — | US | disclosed |