⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8938885 | 1.00 | — | — | |
| SCHEMBL538778 | 0.85 | — | — | |
| SCHEMBL9725611 | 0.85 | — | — | |
| SCHEMBL15577105 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL15577103 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL22105 | 0.78 | — | — | |
| SCHEMBL27922143 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL9309321 | 0.76 | — | — | |
| Hypochlorous Acid SCHEMBL11208004 | 0.76 | — | — | |
| Methylene Chloride SCHEMBL9389820 | 0.76 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | claimed |
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |