⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1120018 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4437470 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL8588250 | 0.90 | — | — | |
| SCHEMBL28851876 | 0.75 | SLC6A2 (0.30) | — | |
| SCHEMBL26661476 | 0.68 | — | — | |
| SCHEMBL28794969 | 0.68 | — | — | |
| SCHEMBL2231050 | 0.68 | — | — | |
| SCHEMBL5050110 | 0.68 | — | — | |
| SCHEMBL8402376 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL7900786 | 0.64 | GABRA1 (0.33) | — |
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-7138530-B2 | Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-11-21 | — | — | US | disclosed |
| US-7109354-B2 | Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-09-19 | — | — | US | disclosed |
| US-20050234081-A1 | Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions | SUBASINGHE NALIN | 2005-10-20 | — | — | US | disclosed |