⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5360418 | 0.78 | — | — | |
| SCHEMBL5654715 | 0.73 | — | — | |
| SCHEMBL868601 | 0.73 | — | — | |
| SCHEMBL2919451 | 0.73 | — | — | |
| SCHEMBL14942610 | 0.71 | — | — | |
| SCHEMBL8674649 | 0.71 | — | — | |
| SCHEMBL12653411 | 0.71 | — | — | |
| SCHEMBL293967 | 0.70 | — | — | |
| SCHEMBL9834206 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28569739 | 0.70 | — | — |
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-4222930-A | VULCANIZABLE RUBBER, SILICEOUS FILLER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1980-09-16 | — | — | US | disclosed |
| US-4152347-A | REINFORCING AGENTS IN VULCANIZABLE RUBBER MIXTURES WHICH CONTAIN A SILICA FILLER | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-05-01 | — | — | US | disclosed |
| US-4082793-A | AROMATIC PHOSPHINIC ACIDS CONTAINING SULFONE LINKAGE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1978-04-04 | — | — | US | disclosed |