⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL2160216 | 0.93 | — | — | |
| Formaldehyde SCHEMBL7855283 | 0.86 | — | — | |
| Formaldehyde SCHEMBL5831198 | 0.77 | — | — | |
| Formaldehyde SCHEMBL14312024 | 0.76 | — | — | |
| Formaldehyde SCHEMBL157950 | 0.76 | — | — | |
| Formaldehyde SCHEMBL6009683 | 0.76 | — | — | |
| Formaldehyde SCHEMBL25244636 | 0.68 | — | — | |
| Formaldehyde SCHEMBL1285463 | 0.68 | — | — | |
| Formaldehyde SCHEMBL8975297 | 0.68 | — | — | |
| Formaldehyde SCHEMBL19547832 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010068480-A1 | DEUTERATED DERIVATIVES OF DIMEBOLINE | CONCERT PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| US-20100137215-A1 | NOVEL TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES | CONCERT PHARMACEUTICALS INC. | 2010-06-03 | — | — | US | disclosed |