⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125477 | 0.88 | — | — | |
| SCHEMBL360237 | 0.83 | ODC1 (0.33) | — | |
| SCHEMBL13878404 | 0.82 | — | — | |
| SCHEMBL21641958 | 0.81 | NFKB1 (0.35) | — | |
| SCHEMBL860349 | 0.81 | — | — | |
| SCHEMBL31093462 | 0.80 | — | — | |
| SCHEMBL20182433 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL18098101 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL29170563 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL17019512 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719229-A | Process for preparing solid elastomeric polyurethanes having reduced surface skinning | BAYER CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| US-5510445-A | ONE STEP | BAYER CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |
| US-5470935-A | Polyurethanes | BAYER CORPORATION (US) | 1995-11-28 | — | — | US | disclosed |
| US-5277862-A | Injecting a mixture of polyisocyanate, 2-methylpropanediol to form a crosslinked polyurethanes | MILES INC. (US) | 1994-01-11 | — | — | US | disclosed |
| US-5179143-A | Polyether or ester urethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-01-12 | — | — | US | disclosed |