⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL898618 | 0.92 | TRPA1 (0.32) | — | |
| SCHEMBL1005697 | 0.85 | NAAA (0.38) | — | |
| SCHEMBL9064503 | 0.81 | NAAA (0.50) | — | |
| SCHEMBL26926038 | 0.80 | — | — | |
| SCHEMBL19420506 | 0.79 | NAAA (0.36) | — | |
| SCHEMBL3626821 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL132315 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4275672 | 0.76 | — | — | |
| Dimethylamine SCHEMBL10771143 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1671539 | 0.75 | CYP1A2 (0.31) | — |
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-11739074-B2 | Ras inhibitors | Revolution Medicines, Inc. (US) | 2023-08-29 | — | — | US | disclosed |
| US-20230233569-A1 | METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2023-07-27 | — | — | US | disclosed |