⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19690768 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL19690772 | 0.81 | — | — | |
| SCHEMBL4740447 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL11249789 | 0.78 | APLNR (0.34) | — | |
| SCHEMBL28189834 | 0.77 | — | — | |
| SCHEMBL28491075 | 0.76 | APLNR (0.33) | — | |
| SCHEMBL28483862 | 0.73 | APLNR (0.34) | — | |
| SCHEMBL19691421 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7946490 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL28121391 | 0.71 | CTDSP1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0522375-B1 | Saturated, liquid isobutylene polymers, end-functionlized with special groups, a process for their preparation and their use for the preparation of caoutchouc-mixtures having a low viscosity | BAYER AG (DE) | 1995-08-23 | — | — | EP | disclosed |
| US-5274182-A | Saturated, liquid isobutylene polymers terminally functionalized by special groups | BAYER AKTIENGESELLSCHAFT | 1993-12-28 | — | — | US | disclosed |
| EP-0522375-A1 | Saturated, liquid isobutylene polymers, end-functionlized with special groups, a process for their preparation and their use for the preparation of caoutchouc-mixtures having a low viscosity | BAYER AG (DE) | 1993-01-13 | — | — | EP | disclosed |
| US-4703100-A | Process for the production of polyisocyanates containing urea and/or biuret groups, preparations obtainable thereby and their use | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-27 | — | — | US | disclosed |