⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28960780 | 0.71 | — | — | |
| SCHEMBL218489 | 0.69 | — | — | |
| SCHEMBL29027394 | 0.60 | — | — | |
| SCHEMBL1797068 | 0.60 | — | — | |
| SCHEMBL6003330 | 0.60 | LTA4H (0.38) | — | |
| Benzene SCHEMBL8002830 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL26590 | 0.56 | — | — | |
| SCHEMBL1894494 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL29172371 | 0.54 | — | — | |
| SCHEMBL8104042 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5599948-A | Substituted dipyrromethanes and their preparation | SUN COMPANY, INC. (US) | 1997-02-04 | — | — | US | disclosed |
| US-5536844-A | Substituted dipyrromethanes and their preparation | SUNCOMPANY, INC. (R&M) (US) | 1996-07-16 | — | — | US | disclosed |
| US-5502211-A | Substituted dipyrromethanes and their preparation | SUN COMPANY, INC. (R&M) (US) | 1996-03-26 | — | — | US | disclosed |
| EP-0655438-A2 | Bis (pyrrol-2-yl)halocarbylmethanes and processes for their preparation | SUN COMPANY, INC. (R&M) (US) | 1995-05-31 | — | — | EP | disclosed |