⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127444 | 0.67 | — | — | |
| Butadiene SCHEMBL28269415 | 0.67 | — | — | |
| Butadiene SCHEMBL6892820 | 0.59 | — | — | |
| Butadiene SCHEMBL9560055 | 0.59 | — | — | |
| Benzene SCHEMBL28180746 | 0.58 | CA1 (0.35) | — | |
| SCHEMBL3857042 | 0.58 | — | — | |
| Butadiene SCHEMBL896160 | 0.58 | — | — | |
| Boric Acid SCHEMBL7856182 | 0.58 | LMNA (0.44) | — | |
| Butadiene SCHEMBL11722119 | 0.58 | — | — | |
| Boric Acid SCHEMBL6023479 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6180355-B1 | Method for diagnosing and treating chronic pelvic pain syndrome | UNIVERSITY OF MARYLAND, BALTIMORE | 2001-01-30 | — | — | US | disclosed |