SCHEMBL817736

SCHEMBL817736

C=Cc1ccccc1C(C)C1CN1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28119636 0.83 SLC6A2 (0.42)
SCHEMBL11648724 0.81 SLC6A2 (0.35)
SCHEMBL817345 0.76 SLC6A2 (0.38)
SCHEMBL818716 0.76 SLC6A2 (0.41)
SCHEMBL817514 0.74 SLC6A2 (0.36)
SCHEMBL28236498 0.73 SLC6A2 (0.41) ALDH1A1
SCHEMBL29364896 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL6281523 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL29717597 0.73 GABRA1 (0.44) ALDH1A1
SCHEMBL56243 0.73 GABRA1 (0.44) ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039504-B1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER IND (JP) 2023-10-25 EP disclosed
EP-4039504-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2022-08-10 EP disclosed
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed