⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL366437 | 0.83 | — | — | |
| SCHEMBL4265618 | 0.78 | — | — | |
| SCHEMBL4275330 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL4976936 | 0.74 | — | — | |
| SCHEMBL150136 | 0.69 | — | — | |
| SCHEMBL366026 | 0.67 | — | — | |
| SCHEMBL627752 | 0.64 | — | — | |
| SCHEMBL5613538 | 0.62 | — | — | |
| SCHEMBL8041769 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL5570792 | 0.61 | — | — |
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-20160340556-A1 | ADHESIVE SHEET, REINFORCING REPAIR TAPE, AND REINFORCED BUILDING MATERIAL | 3M INNOVATIVE PROPERTIES COMPANY | 2016-11-24 | — | — | US | disclosed |
| US-4166827-A | DENTAL PLAQUE | COOPER LABORATORIES, INC. (US) | 1979-09-04 | — | — | US | disclosed |
| US-4110328-A | Bis-carbamylguanidinoazaalkane antimicrobial compounds | COOPER LABORATORIES, INC. (US) | 1978-08-29 | — | — | US | disclosed |