⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11205285 | 0.77 | ALOX15 (0.53) | — | |
| SCHEMBL31339525 | 0.77 | ALOX15 (0.53) | — | |
| SCHEMBL69003 | 0.77 | ALOX15 (0.53) | — | |
| SCHEMBL3956783 | 0.77 | ALDH1A1 (0.53) | — | |
| Formaldehyde SCHEMBL11203204 | 0.76 | HPGD (0.45) | — | |
| SCHEMBL8539291 | 0.74 | ALOX15 (0.50) | — | |
| SCHEMBL11575885 | 0.74 | — | — | |
| SCHEMBL10616124 | 0.74 | ALOX15 (0.50) | — | |
| SCHEMBL9804843 | 0.74 | — | — | |
| SCHEMBL10305662 | 0.74 | ALDH1A1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5861428-A | ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO | BAYER CORPORATION (US) | 1999-01-19 | — | — | US | claimed |
| US-5886043-A | ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS | BAYER CORPORATION (US) | 1999-03-23 | — | — | US | disclosed |
| US-5854277-A | Thiophenebutanoic acid derivatives as matrix metalloprotease inhibitors | BAYER CORPORATION (US) | 1998-12-29 | — | — | US | disclosed |